(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide

C18H28N2O3 — CID 40501214

IUPAC(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(O)c(OC)c2)C1
InChIInChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)15-7-6-10-19(13-15)12-14-8-9-16(21)17(11-14)23-3/h8-9,11,15,21H,4-7,10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNCHZHXSMIGSILB-OAHLLOKOSA-N
MW320.43 g/mol
LogP2.48
Rot. Bonds6

About (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide

(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 40501214) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID40501214
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(O)c(OC)c2)C1
InChIInChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)15-7-6-10-19(13-15)12-14-8-9-16(21)17(11-14)23-3/h8-9,11,15,21H,4-7,10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNCHZHXSMIGSILB-OAHLLOKOSA-N
XLogP2.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
N,N-diethyl-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 2846014
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3S)-N,N-diethyl-1-[[4-[(3-hydroxy-4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide
CID 42321691
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
1-[(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95888911
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1069661
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3R)-1-[[4-[(2,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 42169418

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 40501214) is (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(O)c(OC)c2)C1.
What is the InChIKey of (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NCHZHXSMIGSILB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)15-7-6-10-19(13-15)12-14-8-9-16(21)17(11-14)23-3/h8-9,11,15,21H,4-7,10,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 40501214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).