N-(1-phenylethyl)piperazine-1-carboxamide

C13H19N3O — CID 22011928

IUPACN-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C13H19N3O/c1-11(12-5-3-2-4-6-12)15-13(17)16-9-7-14-8-10-16/h2-6,11,14H,7-10H2,1H3,(H,15,17)
InChIKeyAXVKTHUDWYGMSU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.36
Rot. Bonds2

About N-(1-phenylethyl)piperazine-1-carboxamide

N-(1-phenylethyl)piperazine-1-carboxamide (PubChem CID 22011928) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)piperazine-1-carboxamide
PubChem CID22011928
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC NameN-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C13H19N3O/c1-11(12-5-3-2-4-6-12)15-13(17)16-9-7-14-8-10-16/h2-6,11,14H,7-10H2,1H3,(H,15,17)
InChIKeyAXVKTHUDWYGMSU-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-phenylethyl)piperazine-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-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
CID 70513646
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)piperazine-1-carboxamide (CID 22011928) is N-(1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)piperazine-1-carboxamide is CC(NC(=O)N1CCNCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is AXVKTHUDWYGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(12-5-3-2-4-6-12)15-13(17)16-9-7-14-8-10-16/h2-6,11,14H,7-10H2,1H3,(H,15,17).
What are the key properties of N-(1-phenylethyl)piperazine-1-carboxamide?
N-(1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 233.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 22011928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).