N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide

C18H28N4O — CID 11638272

IUPACN-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C18H28N4O/c1-2-5-18(23)20-17-14-16(8-9-19-17)22-12-10-21(11-13-22)15-6-3-4-7-15/h8-9,14-15H,2-7,10-13H2,1H3,(H,19,20,23)
InChIKeyPEVRGNQYNMPFHQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.88
Rot. Bonds5

About N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide

N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide (PubChem CID 11638272) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide
PubChem CID11638272
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C18H28N4O/c1-2-5-18(23)20-17-14-16(8-9-19-17)22-12-10-21(11-13-22)15-6-3-4-7-15/h8-9,14-15H,2-7,10-13H2,1H3,(H,19,20,23)
InChIKeyPEVRGNQYNMPFHQ-UHFFFAOYSA-N
XLogP2.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 69252651
[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane
CID 69252851
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
CID 62369937
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 79945267
N-(6-morpholin-4-ylisoquinolin-1-yl)butanamide
CID 135329655
4-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 154869705
ethyl 2-[4-(4-cyclopentylpiperazin-1-yl)anilino]-2-oxoacetate
CID 112502760
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide?
The IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide (CID 11638272) is N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide?
The canonical SMILES for N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide is CCCC(=O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1.
What is the InChIKey of N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide?
The InChIKey is PEVRGNQYNMPFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-5-18(23)20-17-14-16(8-9-19-17)22-12-10-21(11-13-22)15-6-3-4-7-15/h8-9,14-15H,2-7,10-13H2,1H3,(H,19,20,23).
What are the key properties of N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide?
N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide has a molecular weight of 316.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide is sourced from PubChem (CID 11638272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).