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

C22H28N4O2 — CID 162644356

IUPACN-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(c1ccccc1)N(CCCN1CCN(c2ccccn2)CC1)C1COC1
InChIInChI=1S/C22H28N4O2/c27-22(19-7-2-1-3-8-19)26(20-17-28-18-20)12-6-11-24-13-15-25(16-14-24)21-9-4-5-10-23-21/h1-5,7-10,20H,6,11-18H2
InChIKeyHQXJMXXQICBXSS-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.13
Rot. Bonds7

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

N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 162644356) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
PubChem CID162644356
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(c1ccccc1)N(CCCN1CCN(c2ccccn2)CC1)C1COC1
InChIInChI=1S/C22H28N4O2/c27-22(19-7-2-1-3-8-19)26(20-17-28-18-20)12-6-11-24-13-15-25(16-14-24)21-9-4-5-10-23-21/h1-5,7-10,20H,6,11-18H2
InChIKeyHQXJMXXQICBXSS-UHFFFAOYSA-N
XLogP2.13
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azaperone
CID 15443
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725
2-Ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470726
2-ethyl-9-methyl-13-[(Z)-2-phenylethenyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 5327624
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941
4-[4-(morpholine-4-carbonyl)anilino]-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118043323
1-(4-Methylbenzoyl)-4-(2-pyridinyl)piperazine
CID 706998
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-Propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 3593803

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (CID 162644356) is N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is O=C(c1ccccc1)N(CCCN1CCN(c2ccccn2)CC1)C1COC1.
What is the InChIKey of N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is HQXJMXXQICBXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(19-7-2-1-3-8-19)26(20-17-28-18-20)12-6-11-24-13-15-25(16-14-24)21-9-4-5-10-23-21/h1-5,7-10,20H,6,11-18H2.
What are the key properties of N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 162644356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).