4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide

C12H24N4O — CID 103778909

IUPAC4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide
SMILESCN1CCCC1CNC1CCN(C(N)=O)CC1
InChIInChI=1S/C12H24N4O/c1-15-6-2-3-11(15)9-14-10-4-7-16(8-5-10)12(13)17/h10-11,14H,2-9H2,1H3,(H2,13,17)
InChIKeyVRSIXJFBHWXNTH-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.21
Rot. Bonds3

About 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide

4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide (PubChem CID 103778909) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide
PubChem CID103778909
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide
SMILESCN1CCCC1CNC1CCN(C(N)=O)CC1
InChIInChI=1S/C12H24N4O/c1-15-6-2-3-11(15)9-14-10-4-7-16(8-5-10)12(13)17/h10-11,14H,2-9H2,1H3,(H2,13,17)
InChIKeyVRSIXJFBHWXNTH-UHFFFAOYSA-N
XLogP0.21
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
CID 103749538
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxamide
CID 83262363
2-methoxy-1-[4-[(1-methylpiperidin-2-yl)methylamino]piperidin-1-yl]ethanone
CID 62659613
4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
4-(cyclobutylmethylamino)piperidine-1-carboxamide
CID 43775245
1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 103778951
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 103626242
4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 104530001
1-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 62659058
4-[(4-hydroxycyclohexyl)methylamino]piperidine-1-carboxamide
CID 106126146
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
4-(methylamino)piperidine-1-carboxamide
CID 43754889

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide (CID 103778909) is 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide is CN1CCCC1CNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide?
The InChIKey is VRSIXJFBHWXNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15-6-2-3-11(15)9-14-10-4-7-16(8-5-10)12(13)17/h10-11,14H,2-9H2,1H3,(H2,13,17).
What are the key properties of 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide?
4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 103778909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).