4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide

C23H32N4OS — CID 91249306

IUPAC4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
SMILESCc1nc([C@@H](C)N[C@H]2CCC(c3ccc(C(=O)NC4CCNCC4)cc3)C2)cs1
InChIInChI=1S/C23H32N4OS/c1-15(22-14-29-16(2)26-22)25-21-8-7-19(13-21)17-3-5-18(6-4-17)23(28)27-20-9-11-24-12-10-20/h3-6,14-15,19-21,24-25H,7-13H2,1-2H3,(H,27,28)/t15-,19?,21+/m1/s1
InChIKeyGVMZPNBZFOELLS-ZKWNDHEOSA-N
MW412.60 g/mol
LogP3.92
Rot. Bonds6

About 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide

4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide (PubChem CID 91249306) has the molecular formula C23H32N4OS and a molecular weight of 412.60 g/mol. Its IUPAC name is 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
PubChem CID91249306
Molecular FormulaC23H32N4OS
Molecular Weight412.60 g/mol
Exact Mass412.23
IUPAC Name4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
SMILESCc1nc([C@@H](C)N[C@H]2CCC(c3ccc(C(=O)NC4CCNCC4)cc3)C2)cs1
InChIInChI=1S/C23H32N4OS/c1-15(22-14-29-16(2)26-22)25-21-8-7-19(13-21)17-3-5-18(6-4-17)23(28)27-20-9-11-24-12-10-20/h3-6,14-15,19-21,24-25H,7-13H2,1-2H3,(H,27,28)/t15-,19?,21+/m1/s1
InChIKeyGVMZPNBZFOELLS-ZKWNDHEOSA-N
XLogP3.92
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide with MolForge

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Related Compounds

4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
CID 91509964
N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241
methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
CID 67844920
3,3,5,5-tetramethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 103965737
N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 162554246
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
N-[(2-fluorophenyl)methyl]-4-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]piperidin-1-yl]benzamide
CID 42367841
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
CID 67844937
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide (CID 91249306) is 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide is Cc1nc([C@@H](C)N[C@H]2CCC(c3ccc(C(=O)NC4CCNCC4)cc3)C2)cs1.
What is the InChIKey of 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
The InChIKey is GVMZPNBZFOELLS-ZKWNDHEOSA-N. The full InChI is InChI=1S/C23H32N4OS/c1-15(22-14-29-16(2)26-22)25-21-8-7-19(13-21)17-3-5-18(6-4-17)23(28)27-20-9-11-24-12-10-20/h3-6,14-15,19-21,24-25H,7-13H2,1-2H3,(H,27,28)/t15-,19?,21+/m1/s1.
What are the key properties of 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide has a molecular weight of 412.60 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 91249306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).