2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide

C17H26N4O2 — CID 120731122

IUPAC2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)16(23)20-8-6-15(22)21-10-9-19-12-14(21)13-5-4-7-18-11-13/h4-5,7,11,14,19H,6,8-10,12H2,1-3H3,(H,20,23)
InChIKeyXDDYSJVFWJQBJG-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.11
Rot. Bonds4

About 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide

2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide (PubChem CID 120731122) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
PubChem CID120731122
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)16(23)20-8-6-15(22)21-10-9-19-12-14(21)13-5-4-7-18-11-13/h4-5,7,11,14,19H,6,8-10,12H2,1-3H3,(H,20,23)
InChIKeyXDDYSJVFWJQBJG-UHFFFAOYSA-N
XLogP1.11
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 120729451
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 120731432
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
CID 120731431
4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 120731688
2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide
CID 120731282
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 120736036
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide (CID 120731122) is 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide is CC(C)(C)C(=O)NCCC(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide?
The InChIKey is XDDYSJVFWJQBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)16(23)20-8-6-15(22)21-10-9-19-12-14(21)13-5-4-7-18-11-13/h4-5,7,11,14,19H,6,8-10,12H2,1-3H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide?
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 120731122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).