6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile

C22H25N3O — CID 118639649

IUPAC6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(C3CCN(C(=O)C4CCNCC4)CC3)ccc2c1
InChIInChI=1S/C22H25N3O/c23-15-16-1-2-21-14-20(4-3-19(21)13-16)17-7-11-25(12-8-17)22(26)18-5-9-24-10-6-18/h1-4,13-14,17-18,24H,5-12H2
InChIKeyHIHYJTHHBMYAQA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.42
Rot. Bonds2

About 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile

6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile (PubChem CID 118639649) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile
PubChem CID118639649
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(C3CCN(C(=O)C4CCNCC4)CC3)ccc2c1
InChIInChI=1S/C22H25N3O/c23-15-16-1-2-21-14-20(4-3-19(21)13-16)17-7-11-25(12-8-17)22(26)18-5-9-24-10-6-18/h1-4,13-14,17-18,24H,5-12H2
InChIKeyHIHYJTHHBMYAQA-UHFFFAOYSA-N
XLogP3.42
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(oxirane-2-carbonyl)piperidin-4-yl]benzonitrile
CID 154880231
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
CID 174892501
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile
CID 72883184
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
3-amino-4-methylbenzoic acid;4-[1-(3-amino-4-methylbenzoyl)piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 162219922
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
CID 113080898

Frequently Asked Questions

What is the IUPAC name of 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile (CID 118639649) is 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile is N#Cc1ccc2cc(C3CCN(C(=O)C4CCNCC4)CC3)ccc2c1.
What is the InChIKey of 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile?
The InChIKey is HIHYJTHHBMYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-15-16-1-2-21-14-20(4-3-19(21)13-16)17-7-11-25(12-8-17)22(26)18-5-9-24-10-6-18/h1-4,13-14,17-18,24H,5-12H2.
What are the key properties of 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile?
6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile has a molecular weight of 347.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile is sourced from PubChem (CID 118639649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).