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

C27H31N3O2 — CID 110228739

IUPACN-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
SMILESCOc1cccc(CN2CCCC(C(NC(=O)Cc3ccccc3)c3ccccn3)C2)c1
InChIInChI=1S/C27H31N3O2/c1-32-24-13-7-11-22(17-24)19-30-16-8-12-23(20-30)27(25-14-5-6-15-28-25)29-26(31)18-21-9-3-2-4-10-21/h2-7,9-11,13-15,17,23,27H,8,12,16,18-20H2,1H3,(H,29,31)
InChIKeyOWNMDAOWONQVCU-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.40
Rot. Bonds8

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

N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide (PubChem CID 110228739) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
PubChem CID110228739
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
SMILESCOc1cccc(CN2CCCC(C(NC(=O)Cc3ccccc3)c3ccccn3)C2)c1
InChIInChI=1S/C27H31N3O2/c1-32-24-13-7-11-22(17-24)19-30-16-8-12-23(20-30)27(25-14-5-6-15-28-25)29-26(31)18-21-9-3-2-4-10-21/h2-7,9-11,13-15,17,23,27H,8,12,16,18-20H2,1H3,(H,29,31)
InChIKeyOWNMDAOWONQVCU-UHFFFAOYSA-N
XLogP4.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
N-[(S)-[(3S)-1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 95795545
N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 92577230
N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550202
2-methoxy-N-[(S)-[(3S)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92610896
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
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-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 95795365
N-[(S)-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 92579029

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide (CID 110228739) is N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide.
What is the SMILES notation for N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The canonical SMILES for N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide is COc1cccc(CN2CCCC(C(NC(=O)Cc3ccccc3)c3ccccn3)C2)c1.
What is the InChIKey of N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The InChIKey is OWNMDAOWONQVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-32-24-13-7-11-22(17-24)19-30-16-8-12-23(20-30)27(25-14-5-6-15-28-25)29-26(31)18-21-9-3-2-4-10-21/h2-7,9-11,13-15,17,23,27H,8,12,16,18-20H2,1H3,(H,29,31).
What are the key properties of N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide has a molecular weight of 429.56 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide is sourced from PubChem (CID 110228739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).