N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride

C19H32ClN3O3S — CID 119586713

IUPACN-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-15(2)11-18(12-20)21-19(23)17-9-6-10-22(13-17)26(24,25)14-16-7-4-3-5-8-16;/h3-5,7-8,15,17-18H,6,9-14,20H2,1-2H3,(H,21,23);1H
InChIKeyZNQWVANZCGZKBB-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.14
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119586713) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID119586713
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-15(2)11-18(12-20)21-19(23)17-9-6-10-22(13-17)26(24,25)14-16-7-4-3-5-8-16;/h3-5,7-8,15,17-18H,6,9-14,20H2,1-2H3,(H,21,23);1H
InChIKeyZNQWVANZCGZKBB-UHFFFAOYSA-N
XLogP2.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 119496646
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
(3S)-3-[[(3S)-1-benzylsulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97211301
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92641652
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 92641829
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylsulfonylpiperidin-3-yl)methanone
CID 119518359
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119588247
N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 119588598
1-[(4-chlorophenyl)methylsulfonyl]-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 133161828

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride (CID 119586713) is N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ZNQWVANZCGZKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-15(2)11-18(12-20)21-19(23)17-9-6-10-22(13-17)26(24,25)14-16-7-4-3-5-8-16;/h3-5,7-8,15,17-18H,6,9-14,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119586713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).