N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide

C19H28N4O2 — CID 53161589

IUPACN-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide
SMILESCC(C)CC(NC(=O)C1CC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)13-16(21-18(24)15-6-7-15)19(25)23-11-9-22(10-12-23)17-5-3-4-8-20-17/h3-5,8,14-16H,6-7,9-13H2,1-2H3,(H,21,24)
InChIKeyNIIMDUKKYIYIHB-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.67
Rot. Bonds6

About N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide

N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide (PubChem CID 53161589) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide
PubChem CID53161589
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide
SMILESCC(C)CC(NC(=O)C1CC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)13-16(21-18(24)15-6-7-15)19(25)23-11-9-22(10-12-23)17-5-3-4-8-20-17/h3-5,8,14-16H,6-7,9-13H2,1-2H3,(H,21,24)
InChIKeyNIIMDUKKYIYIHB-UHFFFAOYSA-N
XLogP1.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

sodium 3-[[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 23711642
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
CID 53161580
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 86968814
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-[1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476198
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(2R)-N-[(2R)-7-amino-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)heptan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 126498192

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide (CID 53161589) is N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide is CC(C)CC(NC(=O)C1CC1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide?
The InChIKey is NIIMDUKKYIYIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)13-16(21-18(24)15-6-7-15)19(25)23-11-9-22(10-12-23)17-5-3-4-8-20-17/h3-5,8,14-16H,6-7,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide?
N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53161589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).