(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide

C22H26N2O3 — CID 95710656

IUPAC(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-11-9-18(10-12-20)15-23-22(26)24-13-5-8-19(16-24)21(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyXBORLVMYRXZNDP-LJQANCHMSA-N
MW366.46 g/mol
LogP3.43
Rot. Bonds6

About (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide

(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide (PubChem CID 95710656) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
PubChem CID95710656
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-11-9-18(10-12-20)15-23-22(26)24-13-5-8-19(16-24)21(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyXBORLVMYRXZNDP-LJQANCHMSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
1-[(4-prop-2-enoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122013875
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide
CID 4683668
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
CID 95214767
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide (CID 95710656) is (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide?
The InChIKey is XBORLVMYRXZNDP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-11-9-18(10-12-20)15-23-22(26)24-13-5-8-19(16-24)21(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide?
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide is sourced from PubChem (CID 95710656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).