1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119732590

IUPAC1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C2CCC(N)C2)CC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-17-5-3-2-4-16(17)21-18(23)13-8-10-22(11-9-13)19(24)14-6-7-15(20)12-14;/h2-5,13-15H,6-12,20H2,1H3,(H,21,23);1H
InChIKeyWBGYFMBFGSTFCV-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride

1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119732590) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119732590
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)C2CCC(N)C2)CC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-17-5-3-2-4-16(17)21-18(23)13-8-10-22(11-9-13)19(24)14-6-7-15(20)12-14;/h2-5,13-15H,6-12,20H2,1H3,(H,21,23);1H
InChIKeyWBGYFMBFGSTFCV-UHFFFAOYSA-N
XLogP2.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305
3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549472
1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119768319
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-(3-aminocyclopentanecarbonyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119692604
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653512
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732598
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732606

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride (CID 119732590) is 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride is COc1ccccc1NC(=O)C1CCN(C(=O)C2CCC(N)C2)CC1.Cl.
What is the InChIKey of 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is WBGYFMBFGSTFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-25-17-5-3-2-4-16(17)21-18(23)13-8-10-22(11-9-13)19(24)14-6-7-15(20)12-14;/h2-5,13-15H,6-12,20H2,1H3,(H,21,23);1H.
What are the key properties of 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119732590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).