N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide

C22H25N3O2 — CID 138993513

IUPACN-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)N2CCNC(=O)C2c2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c1-16-7-5-6-10-18(16)22(11-12-22)15-24-21(27)25-14-13-23-20(26)19(25)17-8-3-2-4-9-17/h2-10,19H,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyDSKRJFVYWZPTQK-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.91
Rot. Bonds4

About N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide

N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide (PubChem CID 138993513) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide
PubChem CID138993513
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)N2CCNC(=O)C2c2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c1-16-7-5-6-10-18(16)22(11-12-22)15-24-21(27)25-14-13-23-20(26)19(25)17-8-3-2-4-9-17/h2-10,19H,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyDSKRJFVYWZPTQK-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide
CID 122556834
(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
CID 125441244
N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
CID 128696475
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
CID 119770278
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224
methyl 3-methyl-5-[[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 52504682
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119183961
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide (CID 138993513) is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide is Cc1ccccc1C1(CNC(=O)N2CCNC(=O)C2c2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide?
The InChIKey is DSKRJFVYWZPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-7-5-6-10-18(16)22(11-12-22)15-24-21(27)25-14-13-23-20(26)19(25)17-8-3-2-4-9-17/h2-10,19H,11-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide?
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 138993513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).