(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one

C23H37N3O3 — CID 25447256

IUPAC(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C23H37N3O3/c27-21-9-8-20(17-26(21)16-18-6-2-1-3-7-18)23(29)25-14-10-19(11-15-25)22(28)24-12-4-5-13-24/h18-20H,1-17H2/t20-/m1/s1
InChIKeyCYNLPQUYEKKDSU-HXUWFJFHSA-N
MW403.57 g/mol
LogP2.67
Rot. Bonds4

About (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one

(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 25447256) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID25447256
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C23H37N3O3/c27-21-9-8-20(17-26(21)16-18-6-2-1-3-7-18)23(29)25-14-10-19(11-15-25)22(28)24-12-4-5-13-24/h18-20H,1-17H2/t20-/m1/s1
InChIKeyCYNLPQUYEKKDSU-HXUWFJFHSA-N
XLogP2.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
1-(cyclohexylmethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 45189845
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 42592436
(3R)-N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593721
N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 45192231
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
CID 166367740
1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 45208381
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one (CID 25447256) is (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one is O=C1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)CC2)CN1CC1CCCCC1.
What is the InChIKey of (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is CYNLPQUYEKKDSU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H37N3O3/c27-21-9-8-20(17-26(21)16-18-6-2-1-3-7-18)23(29)25-14-10-19(11-15-25)22(28)24-12-4-5-13-24/h18-20H,1-17H2/t20-/m1/s1.
What are the key properties of (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one?
(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 403.57 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 25447256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).