cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone

C17H23NO2 — CID 110638549

IUPACcyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(OCC2CCCN(C(=O)C3CC3)C2)cc1
InChIInChI=1S/C17H23NO2/c1-13-4-8-16(9-5-13)20-12-14-3-2-10-18(11-14)17(19)15-6-7-15/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3
InChIKeyWCCGZZGLANTVSO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds4

About cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone

cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 110638549) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID110638549
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namecyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(OCC2CCCN(C(=O)C3CC3)C2)cc1
InChIInChI=1S/C17H23NO2/c1-13-4-8-16(9-5-13)20-12-14-3-2-10-18(11-14)17(19)15-6-7-15/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3
InChIKeyWCCGZZGLANTVSO-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]pentan-1-one
CID 110410652
1-ethyl-4-[2-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 45220082
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584
1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-4-phenylbutane-1,2-dione
CID 91832984
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70777552
1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 46957846
4,6-dimethyl-1-[2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 96575377
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
[3-[(4-bromophenoxy)methyl]azetidin-1-yl]-cyclobutylmethanone
CID 146015331

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone (CID 110638549) is cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone is Cc1ccc(OCC2CCCN(C(=O)C3CC3)C2)cc1.
What is the InChIKey of cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is WCCGZZGLANTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-4-8-16(9-5-13)20-12-14-3-2-10-18(11-14)17(19)15-6-7-15/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3.
What are the key properties of cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110638549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).