(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide

C18H28N2O4 — CID 95614996

IUPAC(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCCO[C@@H]1CCCN(C(=O)Nc2cc(OC)ccc2OC(C)C)C1
InChIInChI=1S/C18H28N2O4/c1-5-23-15-7-6-10-20(12-15)18(21)19-16-11-14(22-4)8-9-17(16)24-13(2)3/h8-9,11,13,15H,5-7,10,12H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyMEKIOYMBMTYQPK-OAHLLOKOSA-N
MW336.43 g/mol
LogP3.52
Rot. Bonds6

About (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide

(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide (PubChem CID 95614996) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
PubChem CID95614996
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCCO[C@@H]1CCCN(C(=O)Nc2cc(OC)ccc2OC(C)C)C1
InChIInChI=1S/C18H28N2O4/c1-5-23-15-7-6-10-20(12-15)18(21)19-16-11-14(22-4)8-9-17(16)24-13(2)3/h8-9,11,13,15H,5-7,10,12H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyMEKIOYMBMTYQPK-OAHLLOKOSA-N
XLogP3.52
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
CID 47749354
(3S,4S)-1-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122079628
N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide
CID 126850554
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47749624
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
2-amino-N-(5-methoxy-2-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119318030
N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
CID 115581858
3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47399494
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide
CID 56803361

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide (CID 95614996) is (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide is CCO[C@@H]1CCCN(C(=O)Nc2cc(OC)ccc2OC(C)C)C1.
What is the InChIKey of (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The InChIKey is MEKIOYMBMTYQPK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-23-15-7-6-10-20(12-15)18(21)19-16-11-14(22-4)8-9-17(16)24-13(2)3/h8-9,11,13,15H,5-7,10,12H2,1-4H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95614996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).