4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

C18H26N4O3 — CID 3248343

IUPAC4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCC1CCCO1
InChIInChI=1S/C18H26N4O3/c23-17(20-14-15-4-3-13-25-15)6-7-18(24)22-11-9-21(10-12-22)16-5-1-2-8-19-16/h1-2,5,8,15H,3-4,6-7,9-14H2,(H,20,23)
InChIKeyBWKLMPMCSFGZPA-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.81
Rot. Bonds6

About 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (PubChem CID 3248343) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
PubChem CID3248343
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCC1CCCO1
InChIInChI=1S/C18H26N4O3/c23-17(20-14-15-4-3-13-25-15)6-7-18(24)22-11-9-21(10-12-22)16-5-1-2-8-19-16/h1-2,5,8,15H,3-4,6-7,9-14H2,(H,20,23)
InChIKeyBWKLMPMCSFGZPA-UHFFFAOYSA-N
XLogP0.81
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide
CID 45147062
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
CID 91812788
(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95100125
2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109324577
N'-[(4-nitrophenyl)methyl]-N-(oxolan-2-ylmethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111541254
2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 17431880
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111541252
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740839

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CID 3248343) is 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCC1CCCO1.
What is the InChIKey of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is BWKLMPMCSFGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(20-14-15-4-3-13-25-15)6-7-18(24)22-11-9-21(10-12-22)16-5-1-2-8-19-16/h1-2,5,8,15H,3-4,6-7,9-14H2,(H,20,23).
What are the key properties of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 346.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 3248343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).