N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide

C25H31N3O3 — CID 50831942

IUPACN-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide
SMILESCC1CCN(C(=O)c2ccc(Oc3ccc(NC(=O)C4CCCCC4)cn3)cc2)CC1
InChIInChI=1S/C25H31N3O3/c1-18-13-15-28(16-14-18)25(30)20-7-10-22(11-8-20)31-23-12-9-21(17-26-23)27-24(29)19-5-3-2-4-6-19/h7-12,17-19H,2-6,13-16H2,1H3,(H,27,29)
InChIKeyOHYUYVXONURJPT-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.26
Rot. Bonds5

About N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide

N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 50831942) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID50831942
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide
SMILESCC1CCN(C(=O)c2ccc(Oc3ccc(NC(=O)C4CCCCC4)cn3)cc2)CC1
InChIInChI=1S/C25H31N3O3/c1-18-13-15-28(16-14-18)25(30)20-7-10-22(11-8-20)31-23-12-9-21(17-26-23)27-24(29)19-5-3-2-4-6-19/h7-12,17-19H,2-6,13-16H2,1H3,(H,27,29)
InChIKeyOHYUYVXONURJPT-UHFFFAOYSA-N
XLogP5.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
N-(6-phenoxy-3-pyridinyl)-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 72851940
N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42101147
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55787508
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-ethyl-1-(6-phenoxypyridine-3-carbonyl)piperidine-4-carboxamide
CID 87016013
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
N-(4-pyridin-2-yloxyphenyl)cyclopentanecarboxamide
CID 154837427
N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119864063

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide (CID 50831942) is N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide is CC1CCN(C(=O)c2ccc(Oc3ccc(NC(=O)C4CCCCC4)cn3)cc2)CC1.
What is the InChIKey of N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is OHYUYVXONURJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-13-15-28(16-14-18)25(30)20-7-10-22(11-8-20)31-23-12-9-21(17-26-23)27-24(29)19-5-3-2-4-6-19/h7-12,17-19H,2-6,13-16H2,1H3,(H,27,29).
What are the key properties of N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide?
N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 421.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 50831942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).