4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

C30H36N4O — CID 26277410

IUPAC4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccc([C@H]2CCCN(C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)C2)c1
InChIInChI=1S/C30H36N4O/c1-23-5-2-7-26(19-23)27-8-4-16-34(22-27)29-13-17-33(18-14-29)28-11-9-25(10-12-28)30(35)32-21-24-6-3-15-31-20-24/h2-3,5-7,9-12,15,19-20,27,29H,4,8,13-14,16-18,21-22H2,1H3,(H,32,35)/t27-/m0/s1
InChIKeyJQIXPBKIRGSKMY-MHZLTWQESA-N
MW468.65 g/mol
LogP5.17
Rot. Bonds6

About 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 26277410) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID26277410
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccc([C@H]2CCCN(C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)C2)c1
InChIInChI=1S/C30H36N4O/c1-23-5-2-7-26(19-23)27-8-4-16-34(22-27)29-13-17-33(18-14-29)28-11-9-25(10-12-28)30(35)32-21-24-6-3-15-31-20-24/h2-3,5-7,9-12,15,19-20,27,29H,4,8,13-14,16-18,21-22H2,1H3,(H,32,35)/t27-/m0/s1
InChIKeyJQIXPBKIRGSKMY-MHZLTWQESA-N
XLogP5.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 118754298
(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96576575
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26402975
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029
1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
(3R)-1-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573564
(3S)-1-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95402526
2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258918
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 26277410) is 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is Cc1cccc([C@H]2CCCN(C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)C2)c1.
What is the InChIKey of 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JQIXPBKIRGSKMY-MHZLTWQESA-N. The full InChI is InChI=1S/C30H36N4O/c1-23-5-2-7-26(19-23)27-8-4-16-34(22-27)29-13-17-33(18-14-29)28-11-9-25(10-12-28)30(35)32-21-24-6-3-15-31-20-24/h2-3,5-7,9-12,15,19-20,27,29H,4,8,13-14,16-18,21-22H2,1H3,(H,32,35)/t27-/m0/s1.
What are the key properties of 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 468.65 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 26277410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).