N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide

C28H34N4O — CID 22397709

IUPACN-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H34N4O/c33-28(15-14-24-9-8-16-29-23-24)30-17-6-7-18-31-19-21-32(22-20-31)27-13-5-4-12-26(27)25-10-2-1-3-11-25/h1-5,8-13,16,23H,6-7,14-15,17-22H2,(H,30,33)
InChIKeyUKZKBHKWOLQCEJ-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.40
Rot. Bonds10

About N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide

N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide (PubChem CID 22397709) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide
PubChem CID22397709
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC NameN-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H34N4O/c33-28(15-14-24-9-8-16-29-23-24)30-17-6-7-18-31-19-21-32(22-20-31)27-13-5-4-12-26(27)25-10-2-1-3-11-25/h1-5,8-13,16,23H,6-7,14-15,17-22H2,(H,30,33)
InChIKeyUKZKBHKWOLQCEJ-UHFFFAOYSA-N
XLogP4.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide (CID 22397709) is N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1.
What is the InChIKey of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide?
The InChIKey is UKZKBHKWOLQCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c33-28(15-14-24-9-8-16-29-23-24)30-17-6-7-18-31-19-21-32(22-20-31)27-13-5-4-12-26(27)25-10-2-1-3-11-25/h1-5,8-13,16,23H,6-7,14-15,17-22H2,(H,30,33).
What are the key properties of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide?
N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide has a molecular weight of 442.61 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 22397709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).