[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

C18H25ClN2O2 — CID 119491517

IUPAC[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1
InChIInChI=1S/C18H25ClN2O2/c1-20-14-5-4-10-21(13-14)17(22)18(8-11-23-12-9-18)15-6-2-3-7-16(15)19/h2-3,6-7,14,20H,4-5,8-13H2,1H3
InChIKeyBYYTTXUMFPEWJI-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.60
Rot. Bonds3

About [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119491517) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119491517
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1
InChIInChI=1S/C18H25ClN2O2/c1-20-14-5-4-10-21(13-14)17(22)18(8-11-23-12-9-18)15-6-2-3-7-16(15)19/h2-3,6-7,14,20H,4-5,8-13H2,1H3
InChIKeyBYYTTXUMFPEWJI-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
CID 124593906
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
[4-(2-chlorophenyl)oxan-4-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589977
2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
CID 119178898
methyl 1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 86897389
(3R,4R)-1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978259
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
CID 120746793
4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
CID 119427380
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119491517) is [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1.
What is the InChIKey of [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is BYYTTXUMFPEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-20-14-5-4-10-21(13-14)17(22)18(8-11-23-12-9-18)15-6-2-3-7-16(15)19/h2-3,6-7,14,20H,4-5,8-13H2,1H3.
What are the key properties of [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?
[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 336.86 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119491517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).