N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide

C24H33N3O2 — CID 95795365

IUPACN-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
SMILESCOc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1
InChIInChI=1S/C24H33N3O2/c1-18(2)15-23(28)26-24(21-11-6-7-13-25-21)20-10-8-14-27(17-20)16-19-9-4-5-12-22(19)29-3/h4-7,9,11-13,18,20,24H,8,10,14-17H2,1-3H3,(H,26,28)/t20-,24-/m1/s1
InChIKeyOWBSAKCTQZGDKT-HYBUGGRVSA-N
MW395.55 g/mol
LogP4.21
Rot. Bonds8

About N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide

N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide (PubChem CID 95795365) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
PubChem CID95795365
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
SMILESCOc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1
InChIInChI=1S/C24H33N3O2/c1-18(2)15-23(28)26-24(21-11-6-7-13-25-21)20-10-8-14-27(17-20)16-19-9-4-5-12-22(19)29-3/h4-7,9,11-13,18,20,24H,8,10,14-17H2,1-3H3,(H,26,28)/t20-,24-/m1/s1
InChIKeyOWBSAKCTQZGDKT-HYBUGGRVSA-N
XLogP4.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[(S)-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 92579029
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
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110229386
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
(2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 124799837
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide?
The IUPAC name of N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide (CID 95795365) is N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide?
The canonical SMILES for N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide is COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1.
What is the InChIKey of N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide?
The InChIKey is OWBSAKCTQZGDKT-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-18(2)15-23(28)26-24(21-11-6-7-13-25-21)20-10-8-14-27(17-20)16-19-9-4-5-12-22(19)29-3/h4-7,9,11-13,18,20,24H,8,10,14-17H2,1-3H3,(H,26,28)/t20-,24-/m1/s1.
What are the key properties of N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide?
N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide has a molecular weight of 395.55 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide is sourced from PubChem (CID 95795365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).