N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide

C21H26N2O2 — CID 90505520

IUPACN-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-25-16-17-9-8-14-23(15-17)21(24)22-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H,22,24)
InChIKeyGWFGQQADAGBNML-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.84
Rot. Bonds5

About N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide

N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 90505520) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
PubChem CID90505520
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-25-16-17-9-8-14-23(15-17)21(24)22-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H,22,24)
InChIKeyGWFGQQADAGBNML-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
CID 121105871
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 120782370
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356430

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide (CID 90505520) is N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide is COCC1CCCN(C(=O)NC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is GWFGQQADAGBNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-16-17-9-8-14-23(15-17)21(24)22-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H,22,24).
What are the key properties of N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide?
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90505520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).