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

C21H27N3O2 — CID 51291225

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-9-10-20(26-3)19(15-16)17(2)22-21(25)24-13-11-23(12-14-24)18-7-5-4-6-8-18/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)
InChIKeyRMTAGYAAOPCDLY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.60
Rot. Bonds4

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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 51291225) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
PubChem CID51291225
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-9-10-20(26-3)19(15-16)17(2)22-21(25)24-13-11-23(12-14-24)18-7-5-4-6-8-18/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)
InChIKeyRMTAGYAAOPCDLY-UHFFFAOYSA-N
XLogP3.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
CID 42935380
4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
CID 55922461
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128694848
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 112806249
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55590525
4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 23446229
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxamide;hydrochloride
CID 55472747

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide (CID 51291225) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide is COc1ccc(C)cc1C(C)NC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is RMTAGYAAOPCDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-9-10-20(26-3)19(15-16)17(2)22-21(25)24-13-11-23(12-14-24)18-7-5-4-6-8-18/h4-10,15,17H,11-14H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 51291225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).