ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate

C22H27NO4 — CID 30392998

IUPACethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H27NO4/c1-3-20(27-19-10-9-16-7-5-6-8-18(16)15-19)21(24)23-13-11-17(12-14-23)22(25)26-4-2/h5-10,15,17,20H,3-4,11-14H2,1-2H3/t20-/m1/s1
InChIKeyBMLABELLLLOCQB-HXUWFJFHSA-N
MW369.46 g/mol
LogP3.80
Rot. Bonds6

About ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate

ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate (PubChem CID 30392998) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
PubChem CID30392998
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H27NO4/c1-3-20(27-19-10-9-16-7-5-6-8-18(16)15-19)21(24)23-13-11-17(12-14-23)22(25)26-4-2/h5-10,15,17,20H,3-4,11-14H2,1-2H3/t20-/m1/s1
InChIKeyBMLABELLLLOCQB-HXUWFJFHSA-N
XLogP3.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 92674448
ethyl 1-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]piperidine-4-carboxylate
CID 133265202
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
ethyl 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 99951586
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
CID 46763822
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 92675803
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 38007048
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 92677927

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate (CID 30392998) is ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate?
The InChIKey is BMLABELLLLOCQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-20(27-19-10-9-16-7-5-6-8-18(16)15-19)21(24)23-13-11-17(12-14-23)22(25)26-4-2/h5-10,15,17,20H,3-4,11-14H2,1-2H3/t20-/m1/s1.
What are the key properties of ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate?
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 30392998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).