3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide

C13H25N3O — CID 116654402

IUPAC3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCN(C)C2)C1
InChIInChI=1S/C13H25N3O/c1-11-4-3-6-16(9-11)13(17)14-8-12-5-7-15(2)10-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyUYUWCXACPDKGST-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds2

About 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide

3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 116654402) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID116654402
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCN(C)C2)C1
InChIInChI=1S/C13H25N3O/c1-11-4-3-6-16(9-11)13(17)14-8-12-5-7-15(2)10-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyUYUWCXACPDKGST-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Piperidin-4-yl)methyl]imidazolidin-2-one
CID 61649405
1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one
CID 75355841
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
(4aS,7aS)-N-(2-methylpropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 97377267
1-Methyl-3-(piperidin-4-yl)imidazolidin-2-one
CID 23463798
3,3-Dimethyl-1-((1-methylpyrrolidin-3-yl)methyl)urea
CID 110475769
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
1,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115169305
1,3-Dimethyl-1-((1-methylpyrrolidin-3-yl)methyl)urea
CID 115613899
3-Ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 116654403
3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
CID 127930996

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide (CID 116654402) is 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide is CC1CCCN(C(=O)NCC2CCN(C)C2)C1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is UYUWCXACPDKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-4-3-6-16(9-11)13(17)14-8-12-5-7-15(2)10-12/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide?
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 116654402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).