N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide

C22H23N3O2 — CID 127622165

IUPACN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)NC2C3CCc4ccccc4C32)C1c1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21-20(15-7-2-1-3-8-15)25(13-12-23-21)22(27)24-19-17-11-10-14-6-4-5-9-16(14)18(17)19/h1-9,17-20H,10-13H2,(H,23,26)(H,24,27)
InChIKeyZEWJCQANHMKNTN-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.60
Rot. Bonds2

About N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide (PubChem CID 127622165) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide
PubChem CID127622165
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)NC2C3CCc4ccccc4C32)C1c1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21-20(15-7-2-1-3-8-15)25(13-12-23-21)22(27)24-19-17-11-10-14-6-4-5-9-16(14)18(17)19/h1-9,17-20H,10-13H2,(H,23,26)(H,24,27)
InChIKeyZEWJCQANHMKNTN-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
CID 128696475
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide
CID 127669517
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 11617195
2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95152464
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide
CID 138993513
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149

Frequently Asked Questions

What is the IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide (CID 127622165) is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide is O=C1NCCN(C(=O)NC2C3CCc4ccccc4C32)C1c1ccccc1.
What is the InChIKey of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide?
The InChIKey is ZEWJCQANHMKNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21-20(15-7-2-1-3-8-15)25(13-12-23-21)22(27)24-19-17-11-10-14-6-4-5-9-16(14)18(17)19/h1-9,17-20H,10-13H2,(H,23,26)(H,24,27).
What are the key properties of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide?
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 127622165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).