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

C21H24N2O — CID 118728606

IUPACN-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
SMILESO=C(NC1[C@@H](c2ccccc2)[C@H]1c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(23-14-8-3-9-15-23)22-20-18(16-10-4-1-5-11-16)19(20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,24)/t18-,19+,20?
InChIKeyQJLQBBPBISEHGI-YOFSQIOKSA-N
MW320.44 g/mol
LogP4.13
Rot. Bonds3

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

N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide (PubChem CID 118728606) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
PubChem CID118728606
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
SMILESO=C(NC1[C@@H](c2ccccc2)[C@H]1c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(23-14-8-3-9-15-23)22-20-18(16-10-4-1-5-11-16)19(20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,24)/t18-,19+,20?
InChIKeyQJLQBBPBISEHGI-YOFSQIOKSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Amperozide
CID 73333
2-Diphenylmethylpiperidine
CID 160506
Amperozide Hydrochloride
CID 73334
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N,N'-Bis(2-phenylethyl)urea
CID 95244
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
CID 31899116
CID 31899116
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide (CID 118728606) is N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide is O=C(NC1[C@@H](c2ccccc2)[C@H]1c1ccccc1)N1CCCCC1.
What is the InChIKey of N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide?
The InChIKey is QJLQBBPBISEHGI-YOFSQIOKSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(23-14-8-3-9-15-23)22-20-18(16-10-4-1-5-11-16)19(20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,24)/t18-,19+,20?.
What are the key properties of N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide?
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 118728606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).