(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone

C17H24N2O2 — CID 60859991

IUPAC(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(16-8-4-5-11-18-16)19-12-9-15(10-13-19)21-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyNTFQQMJUIUSFTN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds3

About (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone

(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone (PubChem CID 60859991) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
PubChem CID60859991
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(16-8-4-5-11-18-16)19-12-9-15(10-13-19)21-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyNTFQQMJUIUSFTN-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone 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

(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290317
[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119832969
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 110909519
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
(4-cyclobutyl-1,4-diazepan-1-yl)-[(2S,4S)-4-phenoxypyrrolidin-2-yl]methanone
CID 91469408
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730

Frequently Asked Questions

What is the IUPAC name of (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone (CID 60859991) is (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is NTFQQMJUIUSFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(16-8-4-5-11-18-16)19-12-9-15(10-13-19)21-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2.
What are the key properties of (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone?
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 60859991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).