1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide

C14H27N3O — CID 119533022

IUPAC1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C)CC1)C1CCNC1
InChIInChI=1S/C14H27N3O/c1-3-8-17(13-4-7-15-11-13)14(18)12-5-9-16(2)10-6-12/h12-13,15H,3-11H2,1-2H3
InChIKeyHBUODRXTWSZCAB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds4

About 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide

1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide (PubChem CID 119533022) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
PubChem CID119533022
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C)CC1)C1CCNC1
InChIInChI=1S/C14H27N3O/c1-3-8-17(13-4-7-15-11-13)14(18)12-5-9-16(2)10-6-12/h12-13,15H,3-11H2,1-2H3
InChIKeyHBUODRXTWSZCAB-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

Cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 58488107
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71450171
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
1-(2-(4-Piperidinyl)ethyl)-2-pyrrolidinone
CID 4712456
1-(Piperidin-4-yl)pyrrolidin-2-one
CID 18314250
N-(sec-butyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3239200
(2S,3S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433952
(2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433953
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-isopropyl-4-methylpentan-1-one
CID 44433957

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide (CID 119533022) is 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide is CCCN(C(=O)C1CCN(C)CC1)C1CCNC1.
What is the InChIKey of 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The InChIKey is HBUODRXTWSZCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-8-17(13-4-7-15-11-13)14(18)12-5-9-16(2)10-6-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 119533022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).