(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide

C20H31N3O2 — CID 95273682

IUPAC(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(CN(C)CC)c1
InChIInChI=1S/C20H31N3O2/c1-4-19(24)23-12-7-6-11-18(23)20(25)21-14-16-9-8-10-17(13-16)15-22(3)5-2/h8-10,13,18H,4-7,11-12,14-15H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyJWEBJFXELQTMHW-GOSISDBHSA-N
MW345.49 g/mol
LogP2.55
Rot. Bonds7

About (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide

(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide (PubChem CID 95273682) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
PubChem CID95273682
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(CN(C)CC)c1
InChIInChI=1S/C20H31N3O2/c1-4-19(24)23-12-7-6-11-18(23)20(25)21-14-16-9-8-10-17(13-16)15-22(3)5-2/h8-10,13,18H,4-7,11-12,14-15H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyJWEBJFXELQTMHW-GOSISDBHSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95273896
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
1-[3-[[(1-propanoylpiperidine-2-carbonyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629457
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
CID 55835703
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propanoylpiperidine-2-carboxamide
CID 110906621
(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95275198
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 10544841
2-[(3-methylphenyl)methyl]-3-[(1-propanoylpiperidine-2-carbonyl)amino]propanoic acid
CID 119242959
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 45141361

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide (CID 95273682) is (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(CN(C)CC)c1.
What is the InChIKey of (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide?
The InChIKey is JWEBJFXELQTMHW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-19(24)23-12-7-6-11-18(23)20(25)21-14-16-9-8-10-17(13-16)15-22(3)5-2/h8-10,13,18H,4-7,11-12,14-15H2,1-3H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide?
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 95273682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).