N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H21N3O3S — CID 42101147

IUPACN-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H21N3O3S/c26-21(16-10-12-25(13-11-16)22(27)19-7-4-14-29-19)24-17-8-9-20(23-15-17)28-18-5-2-1-3-6-18/h1-9,14-16H,10-13H2,(H,24,26)
InChIKeyZKIZZXJDPKJJPC-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.43
Rot. Bonds5

About N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 42101147) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID42101147
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H21N3O3S/c26-21(16-10-12-25(13-11-16)22(27)19-7-4-14-29-19)24-17-8-9-20(23-15-17)28-18-5-2-1-3-6-18/h1-9,14-16H,10-13H2,(H,24,26)
InChIKeyZKIZZXJDPKJJPC-UHFFFAOYSA-N
XLogP4.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17453330
N-(6-phenoxy-3-pyridinyl)-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 72851940
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55805253
1-(furan-2-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24793063
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide
CID 50831942
1-(1,2-oxazol-3-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 42519623
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306117

Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 42101147) is N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZKIZZXJDPKJJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-21(16-10-12-25(13-11-16)22(27)19-7-4-14-29-19)24-17-8-9-20(23-15-17)28-18-5-2-1-3-6-18/h1-9,14-16H,10-13H2,(H,24,26).
What are the key properties of N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 42101147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).