1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride

C20H30ClN3O2 — CID 119315736

IUPAC1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3(N)CCCCC3)CC2)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15-5-7-16(8-6-15)18(24)23-13-9-17(10-14-23)22-19(25)20(21)11-3-2-4-12-20;/h5-8,17H,2-4,9-14,21H2,1H3,(H,22,25);1H
InChIKeyBYAGJDCQKIBMMJ-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.80
Rot. Bonds3

About 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119315736) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119315736
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3(N)CCCCC3)CC2)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15-5-7-16(8-6-15)18(24)23-13-9-17(10-14-23)22-19(25)20(21)11-3-2-4-12-20;/h5-8,17H,2-4,9-14,21H2,1H3,(H,22,25);1H
InChIKeyBYAGJDCQKIBMMJ-UHFFFAOYSA-N
XLogP2.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118789924
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119278564
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119315736) is 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride is Cc1ccc(C(=O)N2CCC(NC(=O)C3(N)CCCCC3)CC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BYAGJDCQKIBMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-15-5-7-16(8-6-15)18(24)23-13-9-17(10-14-23)22-19(25)20(21)11-3-2-4-12-20;/h5-8,17H,2-4,9-14,21H2,1H3,(H,22,25);1H.
What are the key properties of 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119315736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).