2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

C23H34N2O — CID 44522207

IUPAC2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C23H34N2O/c1-18-16-21(18)22(26)24-20-10-14-25(15-11-20)17-23(12-6-3-7-13-23)19-8-4-2-5-9-19/h2,4-5,8-9,18,20-21H,3,6-7,10-17H2,1H3,(H,24,26)
InChIKeyXVAUQMOGZLUEQB-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.13
Rot. Bonds5

About 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 44522207) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID44522207
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C23H34N2O/c1-18-16-21(18)22(26)24-20-10-14-25(15-11-20)17-23(12-6-3-7-13-23)19-8-4-2-5-9-19/h2,4-5,8-9,18,20-21H,3,6-7,10-17H2,1H3,(H,24,26)
InChIKeyXVAUQMOGZLUEQB-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 44522207) is 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is CC1CC1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1.
What is the InChIKey of 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is XVAUQMOGZLUEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-18-16-21(18)22(26)24-20-10-14-25(15-11-20)17-23(12-6-3-7-13-23)19-8-4-2-5-9-19/h2,4-5,8-9,18,20-21H,3,6-7,10-17H2,1H3,(H,24,26).
What are the key properties of 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 354.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 44522207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).