(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide

C22H27N3O3S — CID 118728608

IUPAC(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2[C@@H](c3ccccc3)[C@H]2c2ccccc2)C1
InChIInChI=1S/C22H27N3O3S/c1-29(27,28)24-18-13-8-14-25(15-18)22(26)23-21-19(16-9-4-2-5-10-16)20(21)17-11-6-3-7-12-17/h2-7,9-12,18-21,24H,8,13-15H2,1H3,(H,23,26)/t18-,19-,20+,21?/m1/s1
InChIKeyALZCGQNKCYLGMB-MQEZQYLSSA-N
MW413.54 g/mol
LogP2.66
Rot. Bonds5

About (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide

(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 118728608) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID118728608
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2[C@@H](c3ccccc3)[C@H]2c2ccccc2)C1
InChIInChI=1S/C22H27N3O3S/c1-29(27,28)24-18-13-8-14-25(15-18)22(26)23-21-19(16-9-4-2-5-10-16)20(21)17-11-6-3-7-12-17/h2-7,9-12,18-21,24H,8,13-15H2,1H3,(H,23,26)/t18-,19-,20+,21?/m1/s1
InChIKeyALZCGQNKCYLGMB-MQEZQYLSSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
CID 118728606
(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
CID 118728609
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10159722
Benzenesulfonamide, N-[4-[4-[ethyl[(methylamino)carbonyl]amino]-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 486608
4-ethyl-N-((1R,2S)-2-phenylcyclopropyl)piperazine-1-carboxamide
CID 44418566
N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide
CID 118728607
Propane-2-sulfonic acid (trans-4-biphenyl-4-yl-1-ethyl-piperidin-3-yl)-amide
CID 52945565
1-Cyclohexyl-3-(1-phenylmethanesulfonyl-piperidin-4-yl)-urea
CID 645563

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 118728608) is (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide is CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2[C@@H](c3ccccc3)[C@H]2c2ccccc2)C1.
What is the InChIKey of (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is ALZCGQNKCYLGMB-MQEZQYLSSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-29(27,28)24-18-13-8-14-25(15-18)22(26)23-21-19(16-9-4-2-5-10-16)20(21)17-11-6-3-7-12-17/h2-7,9-12,18-21,24H,8,13-15H2,1H3,(H,23,26)/t18-,19-,20+,21?/m1/s1.
What are the key properties of (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 118728608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).