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

C26H35N3O3 — CID 110226609

IUPACN-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cccc(CN2CCC(C(NC(C)=O)c3ccccn3)CC2)c1OC1CCCC1
InChIInChI=1S/C26H35N3O3/c1-19(30)28-25(23-11-5-6-15-27-23)20-13-16-29(17-14-20)18-21-8-7-12-24(31-2)26(21)32-22-9-3-4-10-22/h5-8,11-12,15,20,22,25H,3-4,9-10,13-14,16-18H2,1-2H3,(H,28,30)
InChIKeyHHEOVNSGBCOUEW-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.50
Rot. Bonds8

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

N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 110226609) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID110226609
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cccc(CN2CCC(C(NC(C)=O)c3ccccn3)CC2)c1OC1CCCC1
InChIInChI=1S/C26H35N3O3/c1-19(30)28-25(23-11-5-6-15-27-23)20-13-16-29(17-14-20)18-21-8-7-12-24(31-2)26(21)32-22-9-3-4-10-22/h5-8,11-12,15,20,22,25H,3-4,9-10,13-14,16-18H2,1-2H3,(H,28,30)
InChIKeyHHEOVNSGBCOUEW-UHFFFAOYSA-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-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550278
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
2-cyclopentyl-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228666
N-[(S)-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550210
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 92601741
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 95795365
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 110226609) is N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is COc1cccc(CN2CCC(C(NC(C)=O)c3ccccn3)CC2)c1OC1CCCC1.
What is the InChIKey of N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is HHEOVNSGBCOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(30)28-25(23-11-5-6-15-27-23)20-13-16-29(17-14-20)18-21-8-7-12-24(31-2)26(21)32-22-9-3-4-10-22/h5-8,11-12,15,20,22,25H,3-4,9-10,13-14,16-18H2,1-2H3,(H,28,30).
What are the key properties of N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
N-[[1-[(2-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-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 110226609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).