N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide

C20H30N4O2 — CID 46989818

IUPACN-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCc1cccnc1CN1CCN(C(=O)CCC(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-5-4-10-21-18(16)15-23-11-13-24(14-12-23)20(26)9-8-19(25)22-17-6-2-3-7-17/h4-5,10,17H,2-3,6-9,11-15H2,1H3,(H,22,25)
InChIKeyCHTCFTXDSKLRLQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.87
Rot. Bonds6

About N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide

N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide (PubChem CID 46989818) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
PubChem CID46989818
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCc1cccnc1CN1CCN(C(=O)CCC(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-5-4-10-21-18(16)15-23-11-13-24(14-12-23)20(26)9-8-19(25)22-17-6-2-3-7-17/h4-5,10,17H,2-3,6-9,11-15H2,1H3,(H,22,25)
InChIKeyCHTCFTXDSKLRLQ-UHFFFAOYSA-N
XLogP1.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide
CID 46987810
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
1-cyclohexyl-3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 30345483
N-cyclopropyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 51103973
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one
CID 91839686
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
3-(2-amino-1,3-thiazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 70777538
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70736951
(2R)-2-(2-methylimidazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 126445384
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide (CID 46989818) is N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide is Cc1cccnc1CN1CCN(C(=O)CCC(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The InChIKey is CHTCFTXDSKLRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-5-4-10-21-18(16)15-23-11-13-24(14-12-23)20(26)9-8-19(25)22-17-6-2-3-7-17/h4-5,10,17H,2-3,6-9,11-15H2,1H3,(H,22,25).
What are the key properties of N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide?
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide has a molecular weight of 358.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 46989818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).