2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide

C15H29N3O — CID 106739669

IUPAC2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC2CCN(C(C)C)C2)CCN1
InChIInChI=1S/C15H29N3O/c1-11(2)18-7-5-13(10-18)9-17-15(19)14-4-6-16-12(3)8-14/h11-14,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyCHYVHCDSCMYBDA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.22
Rot. Bonds4

About 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide

2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 106739669) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
PubChem CID106739669
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC2CCN(C(C)C)C2)CCN1
InChIInChI=1S/C15H29N3O/c1-11(2)18-7-5-13(10-18)9-17-15(19)14-4-6-16-12(3)8-14/h11-14,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyCHYVHCDSCMYBDA-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120634721
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61208333
(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120645262
2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 65456243
2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
CID 107295958
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635256
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120634795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide (CID 106739669) is 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide is CC1CC(C(=O)NCC2CCN(C(C)C)C2)CCN1.
What is the InChIKey of 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CHYVHCDSCMYBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)18-7-5-13(10-18)9-17-15(19)14-4-6-16-12(3)8-14/h11-14,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide?
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 106739669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).