(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C20H37N3O — CID 25379572

IUPAC(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@H](C(=O)NCCCC3CCCC3)C2)CC1
InChIInChI=1S/C20H37N3O/c1-22-14-10-19(11-15-22)23-13-5-9-18(16-23)20(24)21-12-4-8-17-6-2-3-7-17/h17-19H,2-16H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyDKHBSYPLWMBDOU-SFHVURJKSA-N
MW335.54 g/mol
LogP2.88
Rot. Bonds6

About (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 25379572) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID25379572
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@H](C(=O)NCCCC3CCCC3)C2)CC1
InChIInChI=1S/C20H37N3O/c1-22-14-10-19(11-15-22)23-13-5-9-18(16-23)20(24)21-12-4-8-17-6-2-3-7-17/h17-19H,2-16H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyDKHBSYPLWMBDOU-SFHVURJKSA-N
XLogP2.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28882866
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 63252510
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
N-(2-aminoethyl)-1-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 63252377
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 25379572) is (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CN1CCC(N2CCC[C@H](C(=O)NCCCC3CCCC3)C2)CC1.
What is the InChIKey of (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is DKHBSYPLWMBDOU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H37N3O/c1-22-14-10-19(11-15-22)23-13-5-9-18(16-23)20(24)21-12-4-8-17-6-2-3-7-17/h17-19H,2-16H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 335.54 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 25379572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).