N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

C19H32ClN3O3S — CID 119495455

IUPACN-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14(2)16-4-6-18(7-5-16)26(24,25)22-12-9-17(10-13-22)19(23)21-11-8-15(3)20;/h4-7,14-15,17H,8-13,20H2,1-3H3,(H,21,23);1H
InChIKeyQSZDZXJIEZAVLZ-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.49
Rot. Bonds7

About N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119495455) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119495455
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-14(2)16-4-6-18(7-5-16)26(24,25)22-12-9-17(10-13-22)19(23)21-11-8-15(3)20;/h4-7,14-15,17H,8-13,20H2,1-3H3,(H,21,23);1H
InChIKeyQSZDZXJIEZAVLZ-UHFFFAOYSA-N
XLogP2.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
N-[2-(ethylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505248
N-[3-(methylamino)propyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 119430099
N-[2-[(2-chlorobenzoyl)amino]ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55659434
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976
1-(4-propan-2-ylphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 40628999
N-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55723158
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 38225023
N-(1-methoxypropan-2-yl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 51144176

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 119495455) is N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is CC(N)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QSZDZXJIEZAVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-14(2)16-4-6-18(7-5-16)26(24,25)22-12-9-17(10-13-22)19(23)21-11-8-15(3)20;/h4-7,14-15,17H,8-13,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119495455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).