N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide

C25H31N3O3 — CID 126460807

IUPACN-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H31N3O3/c29-24(27-21-7-3-1-2-4-8-21)19-9-11-22(12-10-19)31-23-13-16-28(17-14-23)25(30)20-6-5-15-26-18-20/h5-6,9-12,15,18,21,23H,1-4,7-8,13-14,16-17H2,(H,27,29)
InChIKeyHVUAPYUEMGXXMZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.22
Rot. Bonds5

About N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide

N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide (PubChem CID 126460807) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
PubChem CID126460807
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H31N3O3/c29-24(27-21-7-3-1-2-4-8-21)19-9-11-22(12-10-19)31-23-13-16-28(17-14-23)25(30)20-6-5-15-26-18-20/h5-6,9-12,15,18,21,23H,1-4,7-8,13-14,16-17H2,(H,27,29)
InChIKeyHVUAPYUEMGXXMZ-UHFFFAOYSA-N
XLogP4.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 42473707
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
N-cyclopentylpyridine-3-carboxamide
CID 805532
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide (CID 126460807) is N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide is O=C(NC1CCCCCC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
The InChIKey is HVUAPYUEMGXXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-24(27-21-7-3-1-2-4-8-21)19-9-11-22(12-10-19)31-23-13-16-28(17-14-23)25(30)20-6-5-15-26-18-20/h5-6,9-12,15,18,21,23H,1-4,7-8,13-14,16-17H2,(H,27,29).
What are the key properties of N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide has a molecular weight of 421.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 126460807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).