N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide

C19H27N3O3S — CID 36512324

IUPACN-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(C(=O)C2CCCC2)CC1)c1ccsc1
InChIInChI=1S/C19H27N3O3S/c23-17(6-3-8-20-18(24)16-7-13-26-14-16)21-9-11-22(12-10-21)19(25)15-4-1-2-5-15/h7,13-15H,1-6,8-12H2,(H,20,24)
InChIKeyNADCXZRVMVLIJH-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.12
Rot. Bonds6

About N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 36512324) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID36512324
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(C(=O)C2CCCC2)CC1)c1ccsc1
InChIInChI=1S/C19H27N3O3S/c23-17(6-3-8-20-18(24)16-7-13-26-14-16)21-9-11-22(12-10-21)19(25)15-4-1-2-5-15/h7,13-15H,1-6,8-12H2,(H,20,24)
InChIKeyNADCXZRVMVLIJH-UHFFFAOYSA-N
XLogP2.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 35429839
(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174270
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
N-[4-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 46413247
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
N-[4-oxo-4-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]butyl]thiophene-3-carboxamide
CID 97085306
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid
CID 119240043
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
N-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119649653
1-[2-[methyl-[4-(thiophene-3-carbonylamino)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236446
N-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 43421341

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide (CID 36512324) is N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide is O=C(NCCCC(=O)N1CCN(C(=O)C2CCCC2)CC1)c1ccsc1.
What is the InChIKey of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is NADCXZRVMVLIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-17(6-3-8-20-18(24)16-7-13-26-14-16)21-9-11-22(12-10-21)19(25)15-4-1-2-5-15/h7,13-15H,1-6,8-12H2,(H,20,24).
What are the key properties of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 36512324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).