(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

C24H23N5O3 — CID 42216324

IUPAC(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1cccc2nonc12
InChIInChI=1S/C24H23N5O3/c30-24(26-18-9-11-19(12-10-18)31-20-6-4-13-25-15-20)22-8-1-2-14-29(22)16-17-5-3-7-21-23(17)28-32-27-21/h3-7,9-13,15,22H,1-2,8,14,16H2,(H,26,30)/t22-/m1/s1
InChIKeyMYJZBKACISWWAP-JOCHJYFZSA-N
MW429.48 g/mol
LogP4.40
Rot. Bonds6

About (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (PubChem CID 42216324) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
PubChem CID42216324
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1cccc2nonc12
InChIInChI=1S/C24H23N5O3/c30-24(26-18-9-11-19(12-10-18)31-20-6-4-13-25-15-20)22-8-1-2-14-29(22)16-17-5-3-7-21-23(17)28-32-27-21/h3-7,9-13,15,22H,1-2,8,14,16H2,(H,26,30)/t22-/m1/s1
InChIKeyMYJZBKACISWWAP-JOCHJYFZSA-N
XLogP4.40
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42522707
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CID 42533238
1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 45208265
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(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 25287889
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidine-2-carboxamide
CID 24819180
1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 42533025
(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
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1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45218060
1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 45226535
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (CID 42216324) is (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1cccc2nonc12.
What is the InChIKey of (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The InChIKey is MYJZBKACISWWAP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-24(26-18-9-11-19(12-10-18)31-20-6-4-13-25-15-20)22-8-1-2-14-29(22)16-17-5-3-7-21-23(17)28-32-27-21/h3-7,9-13,15,22H,1-2,8,14,16H2,(H,26,30)/t22-/m1/s1.
What are the key properties of (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 42216324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).