2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide

C20H30N4O4S — CID 56524617

IUPAC2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC1CN(C(=O)C2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)CC(C)O1
InChIInChI=1S/C20H30N4O4S/c1-13-11-24(12-14(2)28-13)20(27)15-3-7-23(8-4-15)9-5-17(25)22-19-16(18(21)26)6-10-29-19/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3,(H2,21,26)(H,22,25)
InChIKeyZGXDTCBBCBOQRV-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.52
Rot. Bonds6

About 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide

2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide (PubChem CID 56524617) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide
PubChem CID56524617
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide
SMILESCC1CN(C(=O)C2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)CC(C)O1
InChIInChI=1S/C20H30N4O4S/c1-13-11-24(12-14(2)28-13)20(27)15-3-7-23(8-4-15)9-5-17(25)22-19-16(18(21)26)6-10-29-19/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3,(H2,21,26)(H,22,25)
InChIKeyZGXDTCBBCBOQRV-UHFFFAOYSA-N
XLogP1.52
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(3-carbamoylthiophen-2-yl)amino]-3-oxopropyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55841442
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 115647989
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 79833534
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 95277217
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51118494
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide (CID 56524617) is 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide is CC1CN(C(=O)C2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)CC(C)O1.
What is the InChIKey of 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide?
The InChIKey is ZGXDTCBBCBOQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-13-11-24(12-14(2)28-13)20(27)15-3-7-23(8-4-15)9-5-17(25)22-19-16(18(21)26)6-10-29-19/h6,10,13-15H,3-5,7-9,11-12H2,1-2H3,(H2,21,26)(H,22,25).
What are the key properties of 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide?
2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 56524617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).