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-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
CID 107295549
N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63720407
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79163504
2-[4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823597
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495

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).