(3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide

C21H26N2O3 — CID 163313631

IUPAC(3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O3/c1-22-13-12-20(24)19(15-22)21(25)23(2)14-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-11,19-20,24H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyJHRMKRUYZWCAQT-WOJBJXKFSA-N
MW354.45 g/mol
LogP2.75
Rot. Bonds5

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

(3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 163313631) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID163313631
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O3/c1-22-13-12-20(24)19(15-22)21(25)23(2)14-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-11,19-20,24H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyJHRMKRUYZWCAQT-WOJBJXKFSA-N
XLogP2.75
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N,1-dimethyl-2-oxo-N-[(4-phenoxyphenyl)methyl]imidazolidine-4-carboxamide
CID 95862292
N-[(4-methoxyphenyl)methyl]-N,1-dimethylpiperidine-3-carboxamide
CID 132649734
(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
2-[4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]phenoxy]acetic acid
CID 91784125
N-methyl-2-oxo-N-[(4-phenoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131905559
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457
(1R,2R,3R,4R)-3,4-bis[[4-(4-fluorophenoxy)phenyl]methyl-methylcarbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 18663920
(1S,2S,3S,5S)-3,5-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclopentane-1,2-dicarboxylic acid
CID 10055456
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide (CID 163313631) is (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide is CN1CC[C@@H](O)[C@H](C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JHRMKRUYZWCAQT-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22-13-12-20(24)19(15-22)21(25)23(2)14-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-11,19-20,24H,12-15H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide?
(3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-N,1-dimethyl-N-[(4-phenoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 163313631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).