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

C23H33N3O2 — CID 45233968

IUPACN-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c1
InChIInChI=1S/C23H33N3O2/c1-17-4-2-5-18(14-17)15-22(27)25-12-9-21(10-13-25)26-11-3-6-19(16-26)23(28)24-20-7-8-20/h2,4-5,14,19-21H,3,6-13,15-16H2,1H3,(H,24,28)
InChIKeyBUICWEUWNMVLKF-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.52
Rot. Bonds5

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

N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45233968) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45233968
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c1
InChIInChI=1S/C23H33N3O2/c1-17-4-2-5-18(14-17)15-22(27)25-12-9-21(10-13-25)26-11-3-6-19(16-26)23(28)24-20-7-8-20/h2,4-5,14,19-21H,3,6-13,15-16H2,1H3,(H,24,28)
InChIKeyBUICWEUWNMVLKF-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95552645
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373
(3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
CID 95052895
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (CID 45233968) is N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is Cc1cccc(CC(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c1.
What is the InChIKey of N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is BUICWEUWNMVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17-4-2-5-18(14-17)15-22(27)25-12-9-21(10-13-25)26-11-3-6-19(16-26)23(28)24-20-7-8-20/h2,4-5,14,19-21H,3,6-13,15-16H2,1H3,(H,24,28).
What are the key properties of N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45233968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).