5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide

C15H22N4O3S — CID 120579115

IUPAC5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C15H22N4O3S/c16-5-4-13(20)18-8-11-3-1-2-6-19(11)15(22)12-7-10(9-23-12)14(17)21/h7,9,11H,1-6,8,16H2,(H2,17,21)(H,18,20)
InChIKeySVCAXVIGANYVCE-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.31
Rot. Bonds6

About 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide

5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 120579115) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
PubChem CID120579115
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C15H22N4O3S/c16-5-4-13(20)18-8-11-3-1-2-6-19(11)15(22)12-7-10(9-23-12)14(17)21/h7,9,11H,1-6,8,16H2,(H2,17,21)(H,18,20)
InChIKeySVCAXVIGANYVCE-UHFFFAOYSA-N
XLogP0.31
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578898
3-amino-N-[[1-(5-methyl-4-nitrothiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579140
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578558
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580028
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 97041948

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide (CID 120579115) is 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide is NCCC(=O)NCC1CCCCN1C(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is SVCAXVIGANYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c16-5-4-13(20)18-8-11-3-1-2-6-19(11)15(22)12-7-10(9-23-12)14(17)21/h7,9,11H,1-6,8,16H2,(H2,17,21)(H,18,20).
What are the key properties of 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 120579115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).