4-heptan-2-yl-N-phenylpiperazine-1-carboxamide

C18H29N3O — CID 110174858

IUPAC4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
SMILESCCCCCC(C)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-3-4-6-9-16(2)20-12-14-21(15-13-20)18(22)19-17-10-7-5-8-11-17/h5,7-8,10-11,16H,3-4,6,9,12-15H2,1-2H3,(H,19,22)
InChIKeyMHTYZYCXGNWYPR-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.80
Rot. Bonds6

About 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide

4-heptan-2-yl-N-phenylpiperazine-1-carboxamide (PubChem CID 110174858) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
PubChem CID110174858
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
SMILESCCCCCC(C)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-3-4-6-9-16(2)20-12-14-21(15-13-20)18(22)19-17-10-7-5-8-11-17/h5,7-8,10-11,16H,3-4,6,9,12-15H2,1-2H3,(H,19,22)
InChIKeyMHTYZYCXGNWYPR-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-heptadecan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174868
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113104196
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
4-(1-amino-1-sulfanylidenebutan-2-yl)-N-phenylpiperazine-1-carboxamide
CID 63344009
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
CID 134076388
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 95065266
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199

Frequently Asked Questions

What is the IUPAC name of 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide (CID 110174858) is 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide is CCCCCC(C)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide?
The InChIKey is MHTYZYCXGNWYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-6-9-16(2)20-12-14-21(15-13-20)18(22)19-17-10-7-5-8-11-17/h5,7-8,10-11,16H,3-4,6,9,12-15H2,1-2H3,(H,19,22).
What are the key properties of 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide?
4-heptan-2-yl-N-phenylpiperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-2-yl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110174858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).