N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride

C19H32ClN3O3S — CID 120651988

IUPACN-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-4-20-16(3)15-21-18(23)19(17-9-7-6-8-10-17)11-13-22(14-12-19)26(24,25)5-2;/h6-10,16,20H,4-5,11-15H2,1-3H3,(H,21,23);1H/t16-;/m1./s1
InChIKeyAVERNUBXYQJCRZ-PKLMIRHRSA-N
MW418.00 g/mol
LogP1.91
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120651988) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
PubChem CID120651988
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-4-20-16(3)15-21-18(23)19(17-9-7-6-8-10-17)11-13-22(14-12-19)26(24,25)5-2;/h6-10,16,20H,4-5,11-15H2,1-3H3,(H,21,23);1H/t16-;/m1./s1
InChIKeyAVERNUBXYQJCRZ-PKLMIRHRSA-N
XLogP1.91
TPSA78.51 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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 78852985
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816371
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119464480

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride (CID 120651988) is N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is AVERNUBXYQJCRZ-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-4-20-16(3)15-21-18(23)19(17-9-7-6-8-10-17)11-13-22(14-12-19)26(24,25)5-2;/h6-10,16,20H,4-5,11-15H2,1-3H3,(H,21,23);1H/t16-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120651988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).