N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide

C19H22N4O2 — CID 120731082

IUPACN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C19H22N4O2/c1-2-18(24)22-16-7-3-5-14(11-16)19(25)23-10-9-21-13-17(23)15-6-4-8-20-12-15/h3-8,11-12,17,21H,2,9-10,13H2,1H3,(H,22,24)
InChIKeyZWNOIOFBJKEYFV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.22
Rot. Bonds4

About N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 120731082) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID120731082
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C19H22N4O2/c1-2-18(24)22-16-7-3-5-14(11-16)19(25)23-10-9-21-13-17(23)15-6-4-8-20-12-15/h3-8,11-12,17,21H,2,9-10,13H2,1H3,(H,22,24)
InChIKeyZWNOIOFBJKEYFV-UHFFFAOYSA-N
XLogP2.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 120731577
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303
[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732299
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731504
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide (CID 120731082) is N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZWNOIOFBJKEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-18(24)22-16-7-3-5-14(11-16)19(25)23-10-9-21-13-17(23)15-6-4-8-20-12-15/h3-8,11-12,17,21H,2,9-10,13H2,1H3,(H,22,24).
What are the key properties of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide?
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 120731082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).