2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid

C14H19N3O3S — CID 63114341

IUPAC2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H19N3O3S/c18-13(19)11-3-8-21-12(11)15-14(20)17-6-4-16(5-7-17)9-10-1-2-10/h3,8,10H,1-2,4-7,9H2,(H,15,20)(H,18,19)
InChIKeyKUEUCZFNRROKBS-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.01
Rot. Bonds4

About 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid

2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114341) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid
PubChem CID63114341
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H19N3O3S/c18-13(19)11-3-8-21-12(11)15-14(20)17-6-4-16(5-7-17)9-10-1-2-10/h3,8,10H,1-2,4-7,9H2,(H,15,20)(H,18,19)
InChIKeyKUEUCZFNRROKBS-UHFFFAOYSA-N
XLogP2.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid (CID 63114341) is 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid is O=C(O)c1ccsc1NC(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid?
The InChIKey is KUEUCZFNRROKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-13(19)11-3-8-21-12(11)15-14(20)17-6-4-16(5-7-17)9-10-1-2-10/h3,8,10H,1-2,4-7,9H2,(H,15,20)(H,18,19).
What are the key properties of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid?
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).