(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide

C22H35N3O2 — CID 155881904

IUPAC(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H35N3O2/c1-3-18(4-2)23-22(27)21-14-20(26)16-25(21)19-10-12-24(13-11-19)15-17-8-6-5-7-9-17/h5-9,18-21,26H,3-4,10-16H2,1-2H3,(H,23,27)/t20-,21+/m1/s1
InChIKeyGMWASMLDFSKIIX-RTWAWAEBSA-N
MW373.54 g/mol
LogP2.39
Rot. Bonds7

About (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide

(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide (PubChem CID 155881904) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide
PubChem CID155881904
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H35N3O2/c1-3-18(4-2)23-22(27)21-14-20(26)16-25(21)19-10-12-24(13-11-19)15-17-8-6-5-7-9-17/h5-9,18-21,26H,3-4,10-16H2,1-2H3,(H,23,27)/t20-,21+/m1/s1
InChIKeyGMWASMLDFSKIIX-RTWAWAEBSA-N
XLogP2.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide
CID 155881903
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 155881908
[(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxypyrrolidin-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 163336543
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 155881522
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 163337313
methyl (2S,4R)-4-amino-1-(1-benzylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 141357307
(2S,4R)-N-[2-[benzyl(ethyl)amino]ethyl]-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155880507
1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53284678
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-(1-benzyl-3-methylpiperidin-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111795636

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide (CID 155881904) is (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide is CCC(CC)NC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide?
The InChIKey is GMWASMLDFSKIIX-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-3-18(4-2)23-22(27)21-14-20(26)16-25(21)19-10-12-24(13-11-19)15-17-8-6-5-7-9-17/h5-9,18-21,26H,3-4,10-16H2,1-2H3,(H,23,27)/t20-,21+/m1/s1.
What are the key properties of (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide?
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155881904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).