N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide

C29H28N2O2 — CID 27848341

IUPACN-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C29H28N2O2/c1-30(20-21-13-14-22-7-2-3-9-25(22)19-21)28(32)24-15-17-31(18-16-24)29(33)27-12-6-10-23-8-4-5-11-26(23)27/h2-14,19,24H,15-18,20H2,1H3
InChIKeyOLBLICGAOIOLSF-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.50
Rot. Bonds4

About N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide

N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 27848341) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID27848341
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C29H28N2O2/c1-30(20-21-13-14-22-7-2-3-9-25(22)19-21)28(32)24-15-17-31(18-16-24)29(33)27-12-6-10-23-8-4-5-11-26(23)27/h2-14,19,24H,15-18,20H2,1H3
InChIKeyOLBLICGAOIOLSF-UHFFFAOYSA-N
XLogP5.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide (CID 27848341) is N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide is CN(Cc1ccc2ccccc2c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is OLBLICGAOIOLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-30(20-21-13-14-22-7-2-3-9-25(22)19-21)28(32)24-15-17-31(18-16-24)29(33)27-12-6-10-23-8-4-5-11-26(23)27/h2-14,19,24H,15-18,20H2,1H3.
What are the key properties of N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 27848341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).