N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide

C20H28N2O2 — CID 42095003

IUPACN-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide
SMILESCc1ccccc1CC(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-15-4-2-3-5-17(15)14-20(24)22-12-10-16(11-13-22)6-9-19(23)21-18-7-8-18/h2-5,16,18H,6-14H2,1H3,(H,21,23)
InChIKeyNFDOEHPFZFHWQV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.83
Rot. Bonds6

About N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide (PubChem CID 42095003) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide
PubChem CID42095003
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide
SMILESCc1ccccc1CC(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-15-4-2-3-5-17(15)14-20(24)22-12-10-16(11-13-22)6-9-19(23)21-18-7-8-18/h2-5,16,18H,6-14H2,1H3,(H,21,23)
InChIKeyNFDOEHPFZFHWQV-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide (CID 42095003) is N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide is Cc1ccccc1CC(=O)N1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide?
The InChIKey is NFDOEHPFZFHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-4-2-3-5-17(15)14-20(24)22-12-10-16(11-13-22)6-9-19(23)21-18-7-8-18/h2-5,16,18H,6-14H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42095003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).