N-phenyl-4-propylpiperazine-1-carboxamide

C14H21N3O — CID 17383007

IUPACN-phenyl-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-8-16-9-11-17(12-10-16)14(18)15-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18)
InChIKeyPXJGAKBQHSTAEB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds3

About N-phenyl-4-propylpiperazine-1-carboxamide

N-phenyl-4-propylpiperazine-1-carboxamide (PubChem CID 17383007) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-phenyl-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-propylpiperazine-1-carboxamide
PubChem CID17383007
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-phenyl-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-8-16-9-11-17(12-10-16)14(18)15-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18)
InChIKeyPXJGAKBQHSTAEB-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-(4-aminobutyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252424
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-propylpiperazine-1-carboxamide (CID 17383007) is N-phenyl-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-propylpiperazine-1-carboxamide?
The InChIKey is PXJGAKBQHSTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-8-16-9-11-17(12-10-16)14(18)15-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18).
What are the key properties of N-phenyl-4-propylpiperazine-1-carboxamide?
N-phenyl-4-propylpiperazine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 17383007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).