(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide

C24H37N3O2 — CID 155881908

IUPAC(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O2/c28-22-15-23(24(29)25-16-19-7-3-1-4-8-19)27(18-22)21-11-13-26(14-12-21)17-20-9-5-2-6-10-20/h2,5-6,9-10,19,21-23,28H,1,3-4,7-8,11-18H2,(H,25,29)/t22-,23+/m1/s1
InChIKeyPKCZMWAFUBVVLW-PKTZIBPZSA-N
MW399.58 g/mol
LogP2.78
Rot. Bonds6

About (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 155881908) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID155881908
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O2/c28-22-15-23(24(29)25-16-19-7-3-1-4-8-19)27(18-22)21-11-13-26(14-12-21)17-20-9-5-2-6-10-20/h2,5-6,9-10,19,21-23,28H,1,3-4,7-8,11-18H2,(H,25,29)/t22-,23+/m1/s1
InChIKeyPKCZMWAFUBVVLW-PKTZIBPZSA-N
XLogP2.78
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.78
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)-4-hydroxy-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 155881904
(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
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
[(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxypyrrolidin-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 163336543
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
CID 5188811
N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 126423909
N-[(1-benzylpiperidin-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119864183
N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 136579148
1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea
CID 141100611

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide (CID 155881908) is (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide is O=C(NCC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is PKCZMWAFUBVVLW-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H37N3O2/c28-22-15-23(24(29)25-16-19-7-3-1-4-8-19)27(18-22)21-11-13-26(14-12-21)17-20-9-5-2-6-10-20/h2,5-6,9-10,19,21-23,28H,1,3-4,7-8,11-18H2,(H,25,29)/t22-,23+/m1/s1.
What are the key properties of (2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-1-(1-benzylpiperidin-4-yl)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 2.78, 6 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)-N-(cyclohexylmethyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 155881908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).