N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride

C22H36ClN3O2 — CID 119657976

IUPACN-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N(C)CCC(N)C(C)C)C2)c1.Cl
InChIInChI=1S/C22H35N3O2.ClH/c1-15(2)20(23)8-10-24(5)21(26)18-7-6-9-25(14-18)22(27)19-12-16(3)11-17(4)13-19;/h11-13,15,18,20H,6-10,14,23H2,1-5H3;1H
InChIKeyKBBNSJLEYDASJH-UHFFFAOYSA-N
MW410.00 g/mol
LogP3.41
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119657976) has the molecular formula C22H36ClN3O2 and a molecular weight of 410.00 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119657976
Molecular FormulaC22H36ClN3O2
Molecular Weight410.00 g/mol
Exact Mass409.25
IUPAC NameN-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N(C)CCC(N)C(C)C)C2)c1.Cl
InChIInChI=1S/C22H35N3O2.ClH/c1-15(2)20(23)8-10-24(5)21(26)18-7-6-9-25(14-18)22(27)19-12-16(3)11-17(4)13-19;/h11-13,15,18,20H,6-10,14,23H2,1-5H3;1H
InChIKeyKBBNSJLEYDASJH-UHFFFAOYSA-N
XLogP3.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.00
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 55790309
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
CID 119823569
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55792197
methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 71875373
N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119589481
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 55957431

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119657976) is N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)N(C)CCC(N)C(C)C)C2)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is KBBNSJLEYDASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.ClH/c1-15(2)20(23)8-10-24(5)21(26)18-7-6-9-25(14-18)22(27)19-12-16(3)11-17(4)13-19;/h11-13,15,18,20H,6-10,14,23H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 410.00 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119657976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).