(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

C14H27N3O — CID 95903528

IUPAC(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C14H27N3O/c1-16-8-4-6-13(12-16)14(18)15-7-5-11-17-9-2-3-10-17/h13H,2-12H2,1H3,(H,15,18)/t13-/m0/s1
InChIKeyMHEYAPLOIYWPMB-ZDUSSCGKSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds5

About (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 95903528) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID95903528
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C14H27N3O/c1-16-8-4-6-13(12-16)14(18)15-7-5-11-17-9-2-3-10-17/h13H,2-12H2,1H3,(H,15,18)/t13-/m0/s1
InChIKeyMHEYAPLOIYWPMB-ZDUSSCGKSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
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

1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
(3S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 124626205
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (CID 95903528) is (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is CN1CCC[C@H](C(=O)NCCCN2CCCC2)C1.
What is the InChIKey of (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is MHEYAPLOIYWPMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-8-4-6-13(12-16)14(18)15-7-5-11-17-9-2-3-10-17/h13H,2-12H2,1H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 95903528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).