N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide

C24H36N2O — CID 147281446

IUPACN-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide
SMILESCNC(=O)CC1(N2CCC(C)(CC[C@@H]3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C24H36N2O/c1-23(12-9-20-17-21(20)19-7-4-3-5-8-19)13-15-26(16-14-23)24(10-6-11-24)18-22(27)25-2/h3-5,7-8,20-21H,6,9-18H2,1-2H3,(H,25,27)/t20-,21?/m1/s1
InChIKeyCSJOVDXCMYNUAY-VQCQRNETSA-N
MW368.56 g/mol
LogP4.73
Rot. Bonds7

About N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide

N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide (PubChem CID 147281446) has the molecular formula C24H36N2O and a molecular weight of 368.56 g/mol. Its IUPAC name is N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide
PubChem CID147281446
Molecular FormulaC24H36N2O
Molecular Weight368.56 g/mol
Exact Mass368.28
IUPAC NameN-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide
SMILESCNC(=O)CC1(N2CCC(C)(CC[C@@H]3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C24H36N2O/c1-23(12-9-20-17-21(20)19-7-4-3-5-8-19)13-15-26(16-14-23)24(10-6-11-24)18-22(27)25-2/h3-5,7-8,20-21H,6,9-18H2,1-2H3,(H,25,27)/t20-,21?/m1/s1
InChIKeyCSJOVDXCMYNUAY-VQCQRNETSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide?
The IUPAC name of N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide (CID 147281446) is N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide?
The canonical SMILES for N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide is CNC(=O)CC1(N2CCC(C)(CC[C@@H]3CC3c3ccccc3)CC2)CCC1.
What is the InChIKey of N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide?
The InChIKey is CSJOVDXCMYNUAY-VQCQRNETSA-N. The full InChI is InChI=1S/C24H36N2O/c1-23(12-9-20-17-21(20)19-7-4-3-5-8-19)13-15-26(16-14-23)24(10-6-11-24)18-22(27)25-2/h3-5,7-8,20-21H,6,9-18H2,1-2H3,(H,25,27)/t20-,21?/m1/s1.
What are the key properties of N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide?
N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide has a molecular weight of 368.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide is sourced from PubChem (CID 147281446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).