N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide

C24H34N4O — CID 113110145

IUPACN-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H34N4O/c1-3-27(4-2)23-14-12-22(13-15-23)25-24(29)28-19-17-26(18-20-28)16-8-11-21-9-6-5-7-10-21/h5-7,9-10,12-15H,3-4,8,11,16-20H2,1-2H3,(H,25,29)
InChIKeyMVTTWYVACLOVGQ-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.32
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide

N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110145) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110145
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H34N4O/c1-3-27(4-2)23-14-12-22(13-15-23)25-24(29)28-19-17-26(18-20-28)16-8-11-21-9-6-5-7-10-21/h5-7,9-10,12-15H,3-4,8,11,16-20H2,1-2H3,(H,25,29)
InChIKeyMVTTWYVACLOVGQ-UHFFFAOYSA-N
XLogP4.32
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105254
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110145) is N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide is CCN(CC)c1ccc(NC(=O)N2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is MVTTWYVACLOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-3-27(4-2)23-14-12-22(13-15-23)25-24(29)28-19-17-26(18-20-28)16-8-11-21-9-6-5-7-10-21/h5-7,9-10,12-15H,3-4,8,11,16-20H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide?
N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).