N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide

C20H32N4O — CID 11638768

IUPACN-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1
InChIInChI=1S/C20H32N4O/c1-3-16(4-2)20(25)22-17-9-10-19(21-15-17)24-13-11-23(12-14-24)18-7-5-6-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,22,25)
InChIKeyBMEZDCHDXLYIPL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.52
Rot. Bonds6

About N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide

N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide (PubChem CID 11638768) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide
PubChem CID11638768
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1
InChIInChI=1S/C20H32N4O/c1-3-16(4-2)20(25)22-17-9-10-19(21-15-17)24-13-11-23(12-14-24)18-7-5-6-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,22,25)
InChIKeyBMEZDCHDXLYIPL-UHFFFAOYSA-N
XLogP3.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 65224657
2-(aminomethyl)-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 65224805
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
N-(6-amino-3-pyridinyl)-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119515073
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136544531
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24610805

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide?
The IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide (CID 11638768) is N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide?
The canonical SMILES for N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1.
What is the InChIKey of N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide?
The InChIKey is BMEZDCHDXLYIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-16(4-2)20(25)22-17-9-10-19(21-15-17)24-13-11-23(12-14-24)18-7-5-6-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide?
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide has a molecular weight of 344.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide is sourced from PubChem (CID 11638768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).