3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide

C22H26N2O — CID 46882917

IUPAC3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1
InChIKeyUUJAMNFWDAPMSE-MFCMXAAESA-N
MW334.46 g/mol
LogP4.31
Rot. Bonds3

About 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide

3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide (PubChem CID 46882917) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
PubChem CID46882917
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1
InChIKeyUUJAMNFWDAPMSE-MFCMXAAESA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide (CID 46882917) is 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide?
The InChIKey is UUJAMNFWDAPMSE-MFCMXAAESA-N. The full InChI is InChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1.
What are the key properties of 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide?
3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 46882917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).