(1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

C21H29N3O3 — CID 72891344

IUPAC(1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCc1cccc(OC2CCN(C(=O)CN3C[C@@H]4CC[C@H](CC3=O)N4)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15-3-2-4-19(11-15)27-18-7-9-23(10-8-18)21(26)14-24-13-17-6-5-16(22-17)12-20(24)25/h2-4,11,16-18,22H,5-10,12-14H2,1H3/t16-,17+/m1/s1
InChIKeyGMZCPGSMUXJIOL-SJORKVTESA-N
MW371.48 g/mol
LogP1.72
Rot. Bonds4

About (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

(1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 72891344) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID72891344
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCc1cccc(OC2CCN(C(=O)CN3C[C@@H]4CC[C@H](CC3=O)N4)CC2)c1
InChIInChI=1S/C21H29N3O3/c1-15-3-2-4-19(11-15)27-18-7-9-23(10-8-18)21(26)14-24-13-17-6-5-16(22-17)12-20(24)25/h2-4,11,16-18,22H,5-10,12-14H2,1H3/t16-,17+/m1/s1
InChIKeyGMZCPGSMUXJIOL-SJORKVTESA-N
XLogP1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one 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

2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
(1S,6R)-3-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 72876592
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
4-(3-methylphenoxy)-1-propan-2-ylpiperidine;(1S,5R)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 170625369
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70707041
1-[2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 78891391
(3R)-3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 96572175
3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 70711948
1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70744251
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 72891344) is (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one is Cc1cccc(OC2CCN(C(=O)CN3C[C@@H]4CC[C@H](CC3=O)N4)CC2)c1.
What is the InChIKey of (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is GMZCPGSMUXJIOL-SJORKVTESA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-3-2-4-19(11-15)27-18-7-9-23(10-8-18)21(26)14-24-13-17-6-5-16(22-17)12-20(24)25/h2-4,11,16-18,22H,5-10,12-14H2,1H3/t16-,17+/m1/s1.
What are the key properties of (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
(1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 371.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-3-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 72891344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).