N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

C24H31N3O3 — CID 25287963

IUPACN-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCC(O)CC1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c28-21-6-4-20(5-7-21)26-24(29)19-2-1-3-23(16-19)30-22-10-14-27(15-11-22)17-18-8-12-25-13-9-18/h1-3,8-9,12-13,16,20-22,28H,4-7,10-11,14-15,17H2,(H,26,29)
InChIKeyFVUJXOVUZKOBPX-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.16
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 25287963) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID25287963
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCC(O)CC1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c28-21-6-4-20(5-7-21)26-24(29)19-2-1-3-23(16-19)30-22-10-14-27(15-11-22)17-18-8-12-25-13-9-18/h1-3,8-9,12-13,16,20-22,28H,4-7,10-11,14-15,17H2,(H,26,29)
InChIKeyFVUJXOVUZKOBPX-UHFFFAOYSA-N
XLogP3.16
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 97279626
3-(1-benzylpiperidin-4-yl)oxy-N-[1-[iodo(phenyl)methyl]piperidin-4-yl]benzamide
CID 69045875
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456925
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 58456833
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (CID 25287963) is N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NC1CCC(O)CC1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is FVUJXOVUZKOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-21-6-4-20(5-7-21)26-24(29)19-2-1-3-23(16-19)30-22-10-14-27(15-11-22)17-18-8-12-25-13-9-18/h1-3,8-9,12-13,16,20-22,28H,4-7,10-11,14-15,17H2,(H,26,29).
What are the key properties of N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 409.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25287963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).