1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide

C12H19N3O — CID 80592650

IUPAC1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCN1CCC(CNC(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C12H19N3O/c1-15-6-2-10(3-7-15)8-14-11(16)12(9-13)4-5-12/h10H,2-8H2,1H3,(H,14,16)
InChIKeyXDASXFZTIGSPOS-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.75
Rot. Bonds3

About 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide

1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 80592650) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID80592650
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCN1CCC(CNC(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C12H19N3O/c1-15-6-2-10(3-7-15)8-14-11(16)12(9-13)4-5-12/h10H,2-8H2,1H3,(H,14,16)
InChIKeyXDASXFZTIGSPOS-UHFFFAOYSA-N
XLogP0.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
CID 115184748
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80592027
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
CID 115635699
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107413298
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide
CID 83017101

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 80592650) is 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide is CN1CCC(CNC(=O)C2(C#N)CC2)CC1.
What is the InChIKey of 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is XDASXFZTIGSPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-6-2-10(3-7-15)8-14-11(16)12(9-13)4-5-12/h10H,2-8H2,1H3,(H,14,16).
What are the key properties of 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80592650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).