4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile

C14H17N3O — CID 62534463

IUPAC4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
SMILESCNC1CCCN(C(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17N3O/c1-16-13-3-2-8-17(10-13)14(18)12-6-4-11(9-15)5-7-12/h4-7,13,16H,2-3,8,10H2,1H3
InChIKeyCERQPURBGYDHMN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.38
Rot. Bonds2

About 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile

4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile (PubChem CID 62534463) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
PubChem CID62534463
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
SMILESCNC1CCCN(C(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17N3O/c1-16-13-3-2-8-17(10-13)14(18)12-6-4-11(9-15)5-7-12/h4-7,13,16H,2-3,8,10H2,1H3
InChIKeyCERQPURBGYDHMN-UHFFFAOYSA-N
XLogP1.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
methyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate
CID 78919442
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
CID 142430135
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119492407
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 119491013

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile (CID 62534463) is 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile is CNC1CCCN(C(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile?
The InChIKey is CERQPURBGYDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-13-3-2-8-17(10-13)14(18)12-6-4-11(9-15)5-7-12/h4-7,13,16H,2-3,8,10H2,1H3.
What are the key properties of 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile?
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 62534463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).