4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide

C23H28N2O3 — CID 42935380

IUPAC4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-16-9-10-21(28-3)20(15-16)17(2)24-23(27)25-13-11-19(12-14-25)22(26)18-7-5-4-6-8-18/h4-10,15,17,19H,11-14H2,1-3H3,(H,24,27)
InChIKeyNBDPVTCTQVRUGI-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.37
Rot. Bonds5

About 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide

4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 42935380) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID42935380
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-16-9-10-21(28-3)20(15-16)17(2)24-23(27)25-13-11-19(12-14-25)22(26)18-7-5-4-6-8-18/h4-10,15,17,19H,11-14H2,1-3H3,(H,24,27)
InChIKeyNBDPVTCTQVRUGI-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 25490674
4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
CID 55922461
4-(3,4-dichlorobenzoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97007454
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 55823679
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352
(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide (CID 42935380) is 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide is COc1ccc(C)cc1C(C)NC(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is NBDPVTCTQVRUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-9-10-21(28-3)20(15-16)17(2)24-23(27)25-13-11-19(12-14-25)22(26)18-7-5-4-6-8-18/h4-10,15,17,19H,11-14H2,1-3H3,(H,24,27).
What are the key properties of 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide?
4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 42935380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).