(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide

C21H32N2O3 — CID 51937811

IUPAC(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C21H32N2O3/c1-15(2)21(25)23-11-7-10-18(13-23)20(24)22-12-17-8-5-6-9-19(17)14-26-16(3)4/h5-6,8-9,15-16,18H,7,10-14H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyXZHYNUZGNFEYDS-GOSISDBHSA-N
MW360.50 g/mol
LogP3.12
Rot. Bonds7

About (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 51937811) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID51937811
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C21H32N2O3/c1-15(2)21(25)23-11-7-10-18(13-23)20(24)22-12-17-8-5-6-9-19(17)14-26-16(3)4/h5-6,8-9,15-16,18H,7,10-14H2,1-4H3,(H,22,24)/t18-/m1/s1
InChIKeyXZHYNUZGNFEYDS-GOSISDBHSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 94822300
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47043917
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066089
(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 51937754
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 119920407

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 51937811) is (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide is CC(C)OCc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is XZHYNUZGNFEYDS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-15(2)21(25)23-11-7-10-18(13-23)20(24)22-12-17-8-5-6-9-19(17)14-26-16(3)4/h5-6,8-9,15-16,18H,7,10-14H2,1-4H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51937811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).