N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide

C23H30N2O4S — CID 60578028

IUPACN-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1OCCC
InChIInChI=1S/C23H30N2O4S/c1-3-12-28-20-6-5-17(15-21(20)29-13-4-2)23(27)25-10-7-19(8-11-25)24-22(26)18-9-14-30-16-18/h5-6,9,14-16,19H,3-4,7-8,10-13H2,1-2H3,(H,24,26)
InChIKeyANDRGZMISGICPU-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.36
Rot. Bonds9

About N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 60578028) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID60578028
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1OCCC
InChIInChI=1S/C23H30N2O4S/c1-3-12-28-20-6-5-17(15-21(20)29-13-4-2)23(27)25-10-7-19(8-11-25)24-22(26)18-9-14-30-16-18/h5-6,9,14-16,19H,3-4,7-8,10-13H2,1-2H3,(H,24,26)
InChIKeyANDRGZMISGICPU-UHFFFAOYSA-N
XLogP4.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
CID 38211238
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 126783823
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491736

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide (CID 60578028) is N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide is CCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1OCCC.
What is the InChIKey of N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is ANDRGZMISGICPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-12-28-20-6-5-17(15-21(20)29-13-4-2)23(27)25-10-7-19(8-11-25)24-22(26)18-9-14-30-16-18/h5-6,9,14-16,19H,3-4,7-8,10-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 60578028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).