N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C18H22N4O — CID 3070506

IUPACN-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1
InChIInChI=1S/C18H22N4O/c23-18(20-16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)17-8-4-5-10-19-17/h1-8,10H,9,11-15H2,(H,20,23)
InChIKeyBOVSCTXJYWTIMU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.23
Rot. Bonds5

About N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 3070506) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID3070506
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1
InChIInChI=1S/C18H22N4O/c23-18(20-16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)17-8-4-5-10-19-17/h1-8,10H,9,11-15H2,(H,20,23)
InChIKeyBOVSCTXJYWTIMU-UHFFFAOYSA-N
XLogP2.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-N-phenylpyridine-2,3-diamine
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8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
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8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
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N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 64
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N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 3070506) is N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is BOVSCTXJYWTIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(20-16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)17-8-4-5-10-19-17/h1-8,10H,9,11-15H2,(H,20,23).
What are the key properties of N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3070506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).