3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile

C19H27N3O2 — CID 136544867

IUPAC3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile
SMILESCOc1cc(NC2CCN(C3CCC(C#N)C3)CC2)cc(OC)c1
InChIInChI=1S/C19H27N3O2/c1-23-18-10-16(11-19(12-18)24-2)21-15-5-7-22(8-6-15)17-4-3-14(9-17)13-20/h10-12,14-15,17,21H,3-9H2,1-2H3
InChIKeyYWJBTWSEQFAWRK-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.27
Rot. Bonds5

About 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile

3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 136544867) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile
PubChem CID136544867
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile
SMILESCOc1cc(NC2CCN(C3CCC(C#N)C3)CC2)cc(OC)c1
InChIInChI=1S/C19H27N3O2/c1-23-18-10-16(11-19(12-18)24-2)21-15-5-7-22(8-6-15)17-4-3-14(9-17)13-20/h10-12,14-15,17,21H,3-9H2,1-2H3
InChIKeyYWJBTWSEQFAWRK-UHFFFAOYSA-N
XLogP3.27
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methoxybenzoyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 136537706
N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
2-chloro-4-[4-(3,5-dimethoxyanilino)piperidin-1-yl]benzonitrile
CID 133337445
3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]thiophene-2-carbonitrile
CID 167963148
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560756
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
N-(3,5-dimethoxyphenyl)-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 122144100
(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 119898033
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile (CID 136544867) is 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile is COc1cc(NC2CCN(C3CCC(C#N)C3)CC2)cc(OC)c1.
What is the InChIKey of 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is YWJBTWSEQFAWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-23-18-10-16(11-19(12-18)24-2)21-15-5-7-22(8-6-15)17-4-3-14(9-17)13-20/h10-12,14-15,17,21H,3-9H2,1-2H3.
What are the key properties of 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile?
3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 329.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 136544867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).