N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide

C14H17N3O3S — CID 30698517

IUPACN-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C14H17N3O3S/c1-8-6-11(16-13(19)9-2-3-9)21-12(8)14(20)17-5-4-15-10(18)7-17/h6,9H,2-5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeySSBDASCTZULHIQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.98
Rot. Bonds3

About N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide

N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 30698517) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
PubChem CID30698517
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C14H17N3O3S/c1-8-6-11(16-13(19)9-2-3-9)21-12(8)14(20)17-5-4-15-10(18)7-17/h6,9H,2-5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeySSBDASCTZULHIQ-UHFFFAOYSA-N
XLogP0.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{2-[cyclopropyl-N-benzylcarbonylamino]acetylamino}-4,5-dimethylthiophene-3-c arboxamide
CID 1460393
5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 39976085
5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
5-(4-methylpiperazin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480860
5-(cyclopropanecarbonylamino)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]thiophene-2-carboxamide
CID 17492804
N-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135512
3-cyclopropyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 71883543
7-methyl-N-propyl-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53014813
7-Methyl-N-(3-methylbutyl)-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53165453
7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 53165466
N-Cyclopropyl-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 71686887
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-sulfanylethyl)thiophene-2-carboxamide
CID 177680096

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (CID 30698517) is N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCNC(=O)C1.
What is the InChIKey of N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is SSBDASCTZULHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-6-11(16-13(19)9-2-3-9)21-12(8)14(20)17-5-4-15-10(18)7-17/h6,9H,2-5,7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 30698517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).