1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride

C19H30ClN3O3S — CID 119489160

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-20-17-6-5-11-21(15-17)19(23)14-16-7-9-18(10-8-16)26(24,25)22-12-3-2-4-13-22;/h7-10,17,20H,2-6,11-15H2,1H3;1H
InChIKeyKAMCMHJWJOBRBH-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride

1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride (PubChem CID 119489160) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
PubChem CID119489160
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-20-17-6-5-11-21(15-17)19(23)14-16-7-9-18(10-8-16)26(24,25)22-12-3-2-4-13-22;/h7-10,17,20H,2-6,11-15H2,1H3;1H
InChIKeyKAMCMHJWJOBRBH-UHFFFAOYSA-N
XLogP2.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 119489331
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119491029
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 119491030
2-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55469023
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
(3S)-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173608
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N,N-diethyl-4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119489192
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260314
1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid
CID 119175715

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride (CID 119489160) is 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride is CNC1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1.Cl.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride?
The InChIKey is KAMCMHJWJOBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-20-17-6-5-11-21(15-17)19(23)14-16-7-9-18(10-8-16)26(24,25)22-12-3-2-4-13-22;/h7-10,17,20H,2-6,11-15H2,1H3;1H.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride?
1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119489160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).