4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide

C27H31N3O — CID 46100871

IUPAC4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H31N3O/c31-27(28-18-10-13-23-11-4-1-5-12-23)30-21-19-29(20-22-30)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,26H,10,13,18-22H2,(H,28,31)
InChIKeyRVVIXTNFVDQNQR-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.74
Rot. Bonds7

About 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide

4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 46100871) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID46100871
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC Name4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H31N3O/c31-27(28-18-10-13-23-11-4-1-5-12-23)30-21-19-29(20-22-30)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,26H,10,13,18-22H2,(H,28,31)
InChIKeyRVVIXTNFVDQNQR-UHFFFAOYSA-N
XLogP4.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.74
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-benzhydryl-N-[2-(4-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108902253
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
4-benzhydryl-N-[3-(2-chlorophenoxy)propyl]piperazine-1-carboxamide
CID 108883363
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
CID 167594860
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
(Z)-2-(4-benzhydrylpiperazine-1-carbonyl)-3-(3-phenylpropylamino)prop-2-enenitrile
CID 108832789

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 46100871) is 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is RVVIXTNFVDQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c31-27(28-18-10-13-23-11-4-1-5-12-23)30-21-19-29(20-22-30)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,26H,10,13,18-22H2,(H,28,31).
What are the key properties of 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 46100871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).