N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide

C18H25N3O3 — CID 128696475

IUPACN-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
SMILESCOC1CCC(NC(=O)N2CCNC(=O)C2c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-24-15-9-7-14(8-10-15)20-18(23)21-12-11-19-17(22)16(21)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyWXUSWRHCCRQIQT-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.83
Rot. Bonds3

About N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide

N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide (PubChem CID 128696475) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
PubChem CID128696475
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
SMILESCOC1CCC(NC(=O)N2CCNC(=O)C2c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-24-15-9-7-14(8-10-15)20-18(23)21-12-11-19-17(22)16(21)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyWXUSWRHCCRQIQT-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide
CID 127622165
methyl 3-methyl-5-[[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 52504682
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide
CID 138993513
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
4-[3-(aminomethyl)-3-methoxycyclobutanecarbonyl]-3-phenylpiperazin-2-one
CID 166276194
(3S)-4-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-3-phenylpiperazin-2-one
CID 52909331

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide (CID 128696475) is N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide is COC1CCC(NC(=O)N2CCNC(=O)C2c2ccccc2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide?
The InChIKey is WXUSWRHCCRQIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-15-9-7-14(8-10-15)20-18(23)21-12-11-19-17(22)16(21)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide?
N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 128696475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).