(4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide

C26H40N4O3S — CID 59084291

IUPAC(4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(N[C@@H](COCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CSCN1
InChIInChI=1S/C26H40N4O3S/c31-25(28-22-11-13-30(14-12-22)15-20-7-3-1-4-8-20)23(29-26(32)24-18-34-19-27-24)17-33-16-21-9-5-2-6-10-21/h1,3-4,7-8,21-24,27H,2,5-6,9-19H2,(H,28,31)(H,29,32)/t23-,24-/m0/s1
InChIKeyZOLYRAZQBMTWKH-ZEQRLZLVSA-N
MW488.70 g/mol
LogP2.51
Rot. Bonds10

About (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 59084291) has the molecular formula C26H40N4O3S and a molecular weight of 488.70 g/mol. Its IUPAC name is (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID59084291
Molecular FormulaC26H40N4O3S
Molecular Weight488.70 g/mol
Exact Mass488.28
IUPAC Name(4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(N[C@@H](COCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CSCN1
InChIInChI=1S/C26H40N4O3S/c31-25(28-22-11-13-30(14-12-22)15-20-7-3-1-4-8-20)23(29-26(32)24-18-34-19-27-24)17-33-16-21-9-5-2-6-10-21/h1,3-4,7-8,21-24,27H,2,5-6,9-19H2,(H,28,31)(H,29,32)/t23-,24-/m0/s1
InChIKeyZOLYRAZQBMTWKH-ZEQRLZLVSA-N
XLogP2.51
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.70
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4R)-N-[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-4-cyclohexyl-3,3-dimethyl-1-sulfanylidenebutan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 87786339
(4R)-N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 59084308
N-[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]-3-cyclopentylsulfonyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 69211617
N-[3-(cyclohexylmethylsulfanyl)-1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 18173297
(4R)-N-[(2R)-4-cyclohexyl-1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]-1-sulfanylidenebutan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 87786926
(4R)-N-[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 21352132
tert-butyl (4R)-4-[[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate;hydrochloride
CID 69317692
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
(E)-but-2-enedioic acid;tert-butyl (4R)-4-[[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 21352138
2-methylpropyl (4R)-4-[[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-4-cyclohexyl-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 87781090
tert-butyl (4R)-4-[[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-4-cyclohexyl-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate;hydrobromide
CID 87782466
tert-butyl (4R)-4-[[1-[(1-benzylpiperidin-4-yl)amino]-4-cyclohexylsulfanyl-1-oxobutan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 59084274

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 59084291) is (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide is O=C(N[C@@H](COCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CSCN1.
What is the InChIKey of (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZOLYRAZQBMTWKH-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H40N4O3S/c31-25(28-22-11-13-30(14-12-22)15-20-7-3-1-4-8-20)23(29-26(32)24-18-34-19-27-24)17-33-16-21-9-5-2-6-10-21/h1,3-4,7-8,21-24,27H,2,5-6,9-19H2,(H,28,31)(H,29,32)/t23-,24-/m0/s1.
What are the key properties of (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 488.70 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethoxy)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 59084291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).