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

C20H31N3O2 — CID 94817629

IUPAC(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NCc2cccc(CN(C)CC)c2)C1
InChIInChI=1S/C20H31N3O2/c1-4-19(24)23-11-7-10-18(15-23)20(25)21-13-16-8-6-9-17(12-16)14-22(3)5-2/h6,8-9,12,18H,4-5,7,10-11,13-15H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyIYQSFKPCGHNXBJ-GOSISDBHSA-N
MW345.49 g/mol
LogP2.40
Rot. Bonds7

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

(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 94817629) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID94817629
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NCc2cccc(CN(C)CC)c2)C1
InChIInChI=1S/C20H31N3O2/c1-4-19(24)23-11-7-10-18(15-23)20(25)21-13-16-8-6-9-17(12-16)14-22(3)5-2/h6,8-9,12,18H,4-5,7,10-11,13-15H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyIYQSFKPCGHNXBJ-GOSISDBHSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
CID 95273682
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95273896
(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95275198
1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47043917
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 95326986
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46481195
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95345541
1-[3-[[(1-butanoylpiperidine-3-carbonyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629660
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide (CID 94817629) is (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@@H](C(=O)NCc2cccc(CN(C)CC)c2)C1.
What is the InChIKey of (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is IYQSFKPCGHNXBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-19(24)23-11-7-10-18(15-23)20(25)21-13-16-8-6-9-17(12-16)14-22(3)5-2/h6,8-9,12,18H,4-5,7,10-11,13-15H2,1-3H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide?
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 94817629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).