N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide

C22H30N4O — CID 162654486

IUPACN-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESCCCN(CCCN1CCN(c2ccccn2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H30N4O/c1-2-13-26(22(27)20-9-4-3-5-10-20)15-8-14-24-16-18-25(19-17-24)21-11-6-7-12-23-21/h3-7,9-12H,2,8,13-19H2,1H3
InChIKeyTYKZFVYOFIERGU-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.15
Rot. Bonds8

About N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide

N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 162654486) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
PubChem CID162654486
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESCCCN(CCCN1CCN(c2ccccn2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H30N4O/c1-2-13-26(22(27)20-9-4-3-5-10-20)15-8-14-24-16-18-25(19-17-24)21-11-6-7-12-23-21/h3-7,9-12H,2,8,13-19H2,1H3
InChIKeyTYKZFVYOFIERGU-UHFFFAOYSA-N
XLogP3.15
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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BPKDi
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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (CID 162654486) is N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is CCCN(CCCN1CCN(c2ccccn2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is TYKZFVYOFIERGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-13-26(22(27)20-9-4-3-5-10-20)15-8-14-24-16-18-25(19-17-24)21-11-6-7-12-23-21/h3-7,9-12H,2,8,13-19H2,1H3.
What are the key properties of N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 162654486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).