4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

C19H32ClN3O3S — CID 66921245

IUPAC4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CS(=O)(=O)N1CCC(N)(C(=O)Nc2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14(2)13-26(24,25)22-11-9-19(20,10-12-22)18(23)21-17-7-5-16(6-8-17)15(3)4;/h5-8,14-15H,9-13,20H2,1-4H3,(H,21,23);1H
InChIKeyYEZYMWAJPAZXSB-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.95
Rot. Bonds6

About 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 66921245) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID66921245
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC Name4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CS(=O)(=O)N1CCC(N)(C(=O)Nc2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14(2)13-26(24,25)22-11-9-19(20,10-12-22)18(23)21-17-7-5-16(6-8-17)15(3)4;/h5-8,14-15H,9-13,20H2,1-4H3,(H,21,23);1H
InChIKeyYEZYMWAJPAZXSB-UHFFFAOYSA-N
XLogP2.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
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CID 119262760
4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
CID 66926127
4-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913668
4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 66921153
4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913817
1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703596
4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide
CID 58129384
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704507
5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
CID 110299847
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (CID 66921245) is 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is CC(C)CS(=O)(=O)N1CCC(N)(C(=O)Nc2ccc(C(C)C)cc2)CC1.Cl.
What is the InChIKey of 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is YEZYMWAJPAZXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-14(2)13-26(24,25)22-11-9-19(20,10-12-22)18(23)21-17-7-5-16(6-8-17)15(3)4;/h5-8,14-15H,9-13,20H2,1-4H3,(H,21,23);1H.
What are the key properties of 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 66921245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).