1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide

C14H23N3O — CID 78995285

IUPAC1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(C#N)CCC1)N1CCCCC1
InChIInChI=1S/C14H23N3O/c1-12(17-8-3-2-4-9-17)10-16-13(18)14(11-15)6-5-7-14/h12H,2-10H2,1H3,(H,16,18)
InChIKeyFDRZQSQVRGDPFU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds4

About 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide

1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 78995285) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID78995285
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(CNC(=O)C1(C#N)CCC1)N1CCCCC1
InChIInChI=1S/C14H23N3O/c1-12(17-8-3-2-4-9-17)10-16-13(18)14(11-15)6-5-7-14/h12H,2-10H2,1H3,(H,16,18)
InChIKeyFDRZQSQVRGDPFU-UHFFFAOYSA-N
XLogP1.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 80593325
1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 112686446
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
2-pyrrolidin-1-ylpropylurea
CID 112728366
1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
CID 78994466
3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 63131690
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 113270427

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide (CID 78995285) is 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide is CC(CNC(=O)C1(C#N)CCC1)N1CCCCC1.
What is the InChIKey of 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is FDRZQSQVRGDPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(17-8-3-2-4-9-17)10-16-13(18)14(11-15)6-5-7-14/h12H,2-10H2,1H3,(H,16,18).
What are the key properties of 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78995285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).