N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide

C24H31N3O3 — CID 45170992

IUPACN,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCOC(Cc3cccc4ccccc34)C2)CC1
InChIInChI=1S/C24H31N3O3/c1-25(2)24(29)26-12-10-19(11-13-26)23(28)27-14-15-30-21(17-27)16-20-8-5-7-18-6-3-4-9-22(18)20/h3-9,19,21H,10-17H2,1-2H3
InChIKeyHDRDNYJQKRQHRN-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.00
Rot. Bonds3

About N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide

N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide (PubChem CID 45170992) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
PubChem CID45170992
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCOC(Cc3cccc4ccccc34)C2)CC1
InChIInChI=1S/C24H31N3O3/c1-25(2)24(29)26-12-10-19(11-13-26)23(28)27-14-15-30-21(17-27)16-20-8-5-7-18-6-3-4-9-22(18)20/h3-9,19,21H,10-17H2,1-2H3
InChIKeyHDRDNYJQKRQHRN-UHFFFAOYSA-N
XLogP3.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide (CID 45170992) is N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CCOC(Cc3cccc4ccccc34)C2)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
The InChIKey is HDRDNYJQKRQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-25(2)24(29)26-12-10-19(11-13-26)23(28)27-14-15-30-21(17-27)16-20-8-5-7-18-6-3-4-9-22(18)20/h3-9,19,21H,10-17H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(naphthalen-1-ylmethyl)morpholine-4-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 45170992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).