N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide

C26H33N3O — CID 92561790

IUPACN-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1
InChIInChI=1S/C26H33N3O/c1-20-10-5-6-14-23(20)26(30)28-25(24-15-7-8-16-27-24)22-13-9-17-29(19-22)18-21-11-3-2-4-12-21/h2-3,5-8,10,14-16,21-22,25H,4,9,11-13,17-19H2,1H3,(H,28,30)/t21-,22+,25+/m0/s1
InChIKeyXOXJGZHJMGRMII-SGIRGMQISA-N
MW403.57 g/mol
LogP4.93
Rot. Bonds6

About N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide

N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide (PubChem CID 92561790) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
PubChem CID92561790
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1
InChIInChI=1S/C26H33N3O/c1-20-10-5-6-14-23(20)26(30)28-25(24-15-7-8-16-27-24)22-13-9-17-29(19-22)18-21-11-3-2-4-12-21/h2-3,5-8,10,14-16,21-22,25H,4,9,11-13,17-19H2,1H3,(H,28,30)/t21-,22+,25+/m0/s1
InChIKeyXOXJGZHJMGRMII-SGIRGMQISA-N
XLogP4.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 92561823
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228759
2-methyl-N-[(R)-pyridin-2-yl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
CID 92561784
N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577175
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241
3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 100833189
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 46951192
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide;hydrochloride
CID 171669163
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The IUPAC name of N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide (CID 92561790) is N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The canonical SMILES for N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1.
What is the InChIKey of N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
The InChIKey is XOXJGZHJMGRMII-SGIRGMQISA-N. The full InChI is InChI=1S/C26H33N3O/c1-20-10-5-6-14-23(20)26(30)28-25(24-15-7-8-16-27-24)22-13-9-17-29(19-22)18-21-11-3-2-4-12-21/h2-3,5-8,10,14-16,21-22,25H,4,9,11-13,17-19H2,1H3,(H,28,30)/t21-,22+,25+/m0/s1.
What are the key properties of N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide?
N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide has a molecular weight of 403.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide is sourced from PubChem (CID 92561790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).