N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

C27H30N2O3 — CID 50803996

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C27H30N2O3/c1-32-25-14-5-3-9-21(25)15-16-28-27(31)23-12-7-17-29(19-23)26(30)18-22-11-6-10-20-8-2-4-13-24(20)22/h2-6,8-11,13-14,23H,7,12,15-19H2,1H3,(H,28,31)
InChIKeyAJCHETHYICOPOJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.99
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 50803996) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID50803996
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C27H30N2O3/c1-32-25-14-5-3-9-21(25)15-16-28-27(31)23-12-7-17-29(19-23)26(30)18-22-11-6-10-20-8-2-4-13-24(20)22/h2-6,8-11,13-14,23H,7,12,15-19H2,1H3,(H,28,31)
InChIKeyAJCHETHYICOPOJ-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082712
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
(3R)-1-(2-naphthalen-1-ylacetyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94082747
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49405666
(3R)-N-[(3-bromophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082744
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
CID 49401442

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 50803996) is N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is COc1ccccc1CCNC(=O)C1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is AJCHETHYICOPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-32-25-14-5-3-9-21(25)15-16-28-27(31)23-12-7-17-29(19-23)26(30)18-22-11-6-10-20-8-2-4-13-24(20)22/h2-6,8-11,13-14,23H,7,12,15-19H2,1H3,(H,28,31).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 50803996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).