N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H19N3O3S — CID 55751909

IUPACN-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)c1
InChIInChI=1S/C19H19N3O3S/c20-8-10-25-16-6-1-5-15(12-16)21-18(23)14-4-2-9-22(13-14)19(24)17-7-3-11-26-17/h1,3,5-7,11-12,14H,2,4,9-10,13H2,(H,21,23)
InChIKeyRHAKMJFJXFKSHH-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.14
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55751909) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55751909
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)c1
InChIInChI=1S/C19H19N3O3S/c20-8-10-25-16-6-1-5-15(12-16)21-18(23)14-4-2-9-22(13-14)19(24)17-7-3-11-26-17/h1,3,5-7,11-12,14H,2,4,9-10,13H2,(H,21,23)
InChIKeyRHAKMJFJXFKSHH-UHFFFAOYSA-N
XLogP3.14
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511249
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
(3R)-1-(thiophene-2-carbonyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboxamide
CID 30864097
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772
N-[3-(1-methyltetrazol-5-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46422022
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55751909) is N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is N#CCOc1cccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is RHAKMJFJXFKSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-8-10-25-16-6-1-5-15(12-16)21-18(23)14-4-2-9-22(13-14)19(24)17-7-3-11-26-17/h1,3,5-7,11-12,14H,2,4,9-10,13H2,(H,21,23).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55751909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).