(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide

C20H30N2O — CID 782727

IUPAC(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C20H30N2O/c1-4-22(5-2)20(23)19-12-9-13-21(16-19)15-17(3)14-18-10-7-6-8-11-18/h6-8,10-11,14,19H,4-5,9,12-13,15-16H2,1-3H3/b17-14+/t19-/m1/s1
InChIKeyVZLZWBUPBPQWIB-DQSGYLJSSA-N
MW314.47 g/mol
LogP3.67
Rot. Bonds6

About (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide

(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide (PubChem CID 782727) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
PubChem CID782727
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C20H30N2O/c1-4-22(5-2)20(23)19-12-9-13-21(16-19)15-17(3)14-18-10-7-6-8-11-18/h6-8,10-11,14,19H,4-5,9,12-13,15-16H2,1-3H3/b17-14+/t19-/m1/s1
InChIKeyVZLZWBUPBPQWIB-DQSGYLJSSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981090
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
CID 67009761
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
CID 136512107

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide (CID 782727) is (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(C/C(C)=C/c2ccccc2)C1.
What is the InChIKey of (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The InChIKey is VZLZWBUPBPQWIB-DQSGYLJSSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-22(5-2)20(23)19-12-9-13-21(16-19)15-17(3)14-18-10-7-6-8-11-18/h6-8,10-11,14,19H,4-5,9,12-13,15-16H2,1-3H3/b17-14+/t19-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide?
(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 782727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).