N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide

C18H29N3O2S — CID 35417013

IUPACN-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCC1CCN(CCCNC(=O)CCCNC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-15-5-11-21(12-6-15)10-3-9-19-17(22)4-2-8-20-18(23)16-7-13-24-14-16/h7,13-15H,2-6,8-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyAJGBRUIMTMRIAA-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.50
Rot. Bonds9

About N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 35417013) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID35417013
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCC1CCN(CCCNC(=O)CCCNC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-15-5-11-21(12-6-15)10-3-9-19-17(22)4-2-8-20-18(23)16-7-13-24-14-16/h7,13-15H,2-6,8-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyAJGBRUIMTMRIAA-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
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-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide
CID 119446128
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 47036203
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[4-oxo-4-[3-(2-oxoazepan-1-yl)propylamino]butyl]thiophene-3-carboxamide
CID 99171268
N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119506031
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18156372
N-[4-[(1-methylsulfonylpiperidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 47909584
N-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]thiophene-3-carboxamide
CID 18154527

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide (CID 35417013) is N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide is CC1CCN(CCCNC(=O)CCCNC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is AJGBRUIMTMRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-15-5-11-21(12-6-15)10-3-9-19-17(22)4-2-8-20-18(23)16-7-13-24-14-16/h7,13-15H,2-6,8-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 35417013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).