N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C26H35N3O3 — CID 92550278

IUPACN-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)ccc1OC1CCCC1
InChIInChI=1S/C26H35N3O3/c1-19(30)28-26(23-9-5-6-14-27-23)21-12-15-29(16-13-21)18-20-10-11-24(25(17-20)31-2)32-22-7-3-4-8-22/h5-6,9-11,14,17,21-22,26H,3-4,7-8,12-13,15-16,18H2,1-2H3,(H,28,30)/t26-/m0/s1
InChIKeyXWOHWVMBFIETKK-SANMLTNESA-N
MW437.58 g/mol
LogP4.50
Rot. Bonds8

About N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92550278) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92550278
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)ccc1OC1CCCC1
InChIInChI=1S/C26H35N3O3/c1-19(30)28-26(23-9-5-6-14-27-23)21-12-15-29(16-13-21)18-20-10-11-24(25(17-20)31-2)32-22-7-3-4-8-22/h5-6,9-11,14,17,21-22,26H,3-4,7-8,12-13,15-16,18H2,1-2H3,(H,28,30)/t26-/m0/s1
InChIKeyXWOHWVMBFIETKK-SANMLTNESA-N
XLogP4.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226609
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 92550278) is N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is COc1cc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)ccc1OC1CCCC1.
What is the InChIKey of N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is XWOHWVMBFIETKK-SANMLTNESA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(30)28-26(23-9-5-6-14-27-23)21-12-15-29(16-13-21)18-20-10-11-24(25(17-20)31-2)32-22-7-3-4-8-22/h5-6,9-11,14,17,21-22,26H,3-4,7-8,12-13,15-16,18H2,1-2H3,(H,28,30)/t26-/m0/s1.
What are the key properties of N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 437.58 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92550278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).