N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

C24H33N3O — CID 44579388

IUPACN-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C24H33N3O/c1-25(18-19-26-14-5-2-6-15-26)24(28)27-16-12-21(13-17-27)23-11-7-9-20-8-3-4-10-22(20)23/h3-4,7-11,21H,2,5-6,12-19H2,1H3
InChIKeyCZSXWHMEOJQFOL-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.56
Rot. Bonds4

About N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 44579388) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID44579388
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C24H33N3O/c1-25(18-19-26-14-5-2-6-15-26)24(28)27-16-12-21(13-17-27)23-11-7-9-20-8-3-4-10-22(20)23/h3-4,7-11,21H,2,5-6,12-19H2,1H3
InChIKeyCZSXWHMEOJQFOL-UHFFFAOYSA-N
XLogP4.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (CID 44579388) is N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC(c2cccc3ccccc23)CC1.
What is the InChIKey of N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is CZSXWHMEOJQFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-25(18-19-26-14-5-2-6-15-26)24(28)27-16-12-21(13-17-27)23-11-7-9-20-8-3-4-10-22(20)23/h3-4,7-11,21H,2,5-6,12-19H2,1H3.
What are the key properties of N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 44579388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).