cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

C16H21NO3 — CID 110396800

IUPACcyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C16H21NO3/c1-19-13-4-6-14(7-5-13)20-15-8-10-17(11-9-15)16(18)12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3
InChIKeyYDHGXTFCTGCPQP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds4

About cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 110396800) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
PubChem CID110396800
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namecyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C16H21NO3/c1-19-13-4-6-14(7-5-13)20-15-8-10-17(11-9-15)16(18)12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3
InChIKeyYDHGXTFCTGCPQP-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone
CID 163996154
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
cyclopropyl-[4-[4-(6-methoxyquinolin-7-yl)phenoxy]piperidin-1-yl]methanone
CID 155010934
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (CID 110396800) is cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is COc1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is YDHGXTFCTGCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-13-4-6-14(7-5-13)20-15-8-10-17(11-9-15)16(18)12-2-3-12/h4-7,12,15H,2-3,8-11H2,1H3.
What are the key properties of cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 110396800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).