(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide

C28H35N3O2 — CID 125178920

IUPAC(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
SMILESCN(Cc1ccc(OCCNC(=O)[C@H]2CCCCN2C)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H35N3O2/c1-30(21-24-10-7-9-23-8-3-4-11-26(23)24)20-22-13-15-25(16-14-22)33-19-17-29-28(32)27-12-5-6-18-31(27)2/h3-4,7-11,13-16,27H,5-6,12,17-21H2,1-2H3,(H,29,32)/t27-/m1/s1
InChIKeyUEAYSDLOLFPWIB-HHHXNRCGSA-N
MW445.61 g/mol
LogP4.45
Rot. Bonds9

About (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide

(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide (PubChem CID 125178920) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
PubChem CID125178920
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
SMILESCN(Cc1ccc(OCCNC(=O)[C@H]2CCCCN2C)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H35N3O2/c1-30(21-24-10-7-9-23-8-3-4-11-26(23)24)20-22-13-15-25(16-14-22)33-19-17-29-28(32)27-12-5-6-18-31(27)2/h3-4,7-11,13-16,27H,5-6,12,17-21H2,1-2H3,(H,29,32)/t27-/m1/s1
InChIKeyUEAYSDLOLFPWIB-HHHXNRCGSA-N
XLogP4.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methyl-N-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 42544553
1-methyl-N-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 45238800
2,2-dimethyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]oxane-4-carboxamide
CID 45214288
4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 26339767
3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 42213619
3-[2-[[(2R)-1-methylazepane-2-carbonyl]amino]ethoxy]benzoic acid
CID 124755901
N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
CID 74242769
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
[(2R)-1-methylpiperidin-2-yl]-[4-[2-[4-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]ethyl]piperazin-1-yl]methanone
CID 26334496
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-1-methylpiperidine-2-carboxamide
CID 74231876
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 45183797

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide (CID 125178920) is (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide is CN(Cc1ccc(OCCNC(=O)[C@H]2CCCCN2C)cc1)Cc1cccc2ccccc12.
What is the InChIKey of (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide?
The InChIKey is UEAYSDLOLFPWIB-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-30(21-24-10-7-9-23-8-3-4-11-26(23)24)20-22-13-15-25(16-14-22)33-19-17-29-28(32)27-12-5-6-18-31(27)2/h3-4,7-11,13-16,27H,5-6,12,17-21H2,1-2H3,(H,29,32)/t27-/m1/s1.
What are the key properties of (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide?
(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 125178920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).