N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

C23H31N3O4 — CID 110226572

IUPACN-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(CN2CCC(C(NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H31N3O4/c1-16(27)25-22(19-7-5-6-10-24-19)18-8-11-26(12-9-18)15-17-13-20(28-2)23(30-4)21(14-17)29-3/h5-7,10,13-14,18,22H,8-9,11-12,15H2,1-4H3,(H,25,27)
InChIKeyCSMLIAZRSCHTNI-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.20
Rot. Bonds8

About N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 110226572) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID110226572
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(CN2CCC(C(NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H31N3O4/c1-16(27)25-22(19-7-5-6-10-24-19)18-8-11-26(12-9-18)15-17-13-20(28-2)23(30-4)21(14-17)29-3/h5-7,10,13-14,18,22H,8-9,11-12,15H2,1-4H3,(H,25,27)
InChIKeyCSMLIAZRSCHTNI-UHFFFAOYSA-N
XLogP3.20
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226609
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
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
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-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550248
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 110226572) is N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is COc1cc(CN2CCC(C(NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is CSMLIAZRSCHTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16(27)25-22(19-7-5-6-10-24-19)18-8-11-26(12-9-18)15-17-13-20(28-2)23(30-4)21(14-17)29-3/h5-7,10,13-14,18,22H,8-9,11-12,15H2,1-4H3,(H,25,27).
What are the key properties of N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110226572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).