1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

C14H21N3O3S — CID 61116130

IUPAC1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNc1ccsc1C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H21N3O3S/c15-11-4-9-21-12(11)14(20)17-6-2-10(3-7-17)13(19)16-5-1-8-18/h4,9-10,18H,1-3,5-8,15H2,(H,16,19)
InChIKeyPMTCBVXBFXPENI-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.68
Rot. Bonds5

About 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 61116130) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID61116130
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNc1ccsc1C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H21N3O3S/c15-11-4-9-21-12(11)14(20)17-6-2-10(3-7-17)13(19)16-5-1-8-18/h4,9-10,18H,1-3,5-8,15H2,(H,16,19)
InChIKeyPMTCBVXBFXPENI-UHFFFAOYSA-N
XLogP0.68
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 86985184
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62793518
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 115452950
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61109066
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 61116130) is 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is Nc1ccsc1C(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is PMTCBVXBFXPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-11-4-9-21-12(11)14(20)17-6-2-10(3-7-17)13(19)16-5-1-8-18/h4,9-10,18H,1-3,5-8,15H2,(H,16,19).
What are the key properties of 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 61116130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).