(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide

C20H31N3O2 — CID 51941120

IUPAC(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-4-22(5-2)20(25)23-13-9-12-18(15-23)19(24)21-14-16(3)17-10-7-6-8-11-17/h6-8,10-11,16,18H,4-5,9,12-15H2,1-3H3,(H,21,24)/t16-,18+/m0/s1
InChIKeyXMXWXZAWXXTBLH-FUHWJXTLSA-N
MW345.49 g/mol
LogP3.08
Rot. Bonds6

About (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide

(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide (PubChem CID 51941120) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
PubChem CID51941120
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-4-22(5-2)20(25)23-13-9-12-18(15-23)19(24)21-14-16(3)17-10-7-6-8-11-17/h6-8,10-11,16,18H,4-5,9,12-15H2,1-3H3,(H,21,24)/t16-,18+/m0/s1
InChIKeyXMXWXZAWXXTBLH-FUHWJXTLSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133239662
(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
CID 51941096
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46529020
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
1-(benzhydrylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785270
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120650058

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide (CID 51941120) is (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1.
What is the InChIKey of (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide?
The InChIKey is XMXWXZAWXXTBLH-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-22(5-2)20(25)23-13-9-12-18(15-23)19(24)21-14-16(3)17-10-7-6-8-11-17/h6-8,10-11,16,18H,4-5,9,12-15H2,1-3H3,(H,21,24)/t16-,18+/m0/s1.
What are the key properties of (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide?
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51941120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).