N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide

C21H25N3O — CID 118728607

IUPACN-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-23-12-14-24(15-13-23)21(25)22-20-18(16-8-4-2-5-9-16)19(20)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3,(H,22,25)/t18-,19+,20?
InChIKeyLEQRENHIKQQYRF-YOFSQIOKSA-N
MW335.45 g/mol
LogP2.89
Rot. Bonds3

About N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide

N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide (PubChem CID 118728607) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide
PubChem CID118728607
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-23-12-14-24(15-13-23)21(25)22-20-18(16-8-4-2-5-9-16)19(20)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3,(H,22,25)/t18-,19+,20?
InChIKeyLEQRENHIKQQYRF-YOFSQIOKSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide (CID 118728607) is N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NC2[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is LEQRENHIKQQYRF-YOFSQIOKSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-12-14-24(15-13-23)21(25)22-20-18(16-8-4-2-5-9-16)19(20)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3,(H,22,25)/t18-,19+,20?.
What are the key properties of N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide?
N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2,3-diphenylcyclopropyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 118728607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).