(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone

C20H29ClN2O2 — CID 128995391

IUPAC(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone
SMILESCC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN2O2/c1-14(2)19-15(9-12-25-19)13-22-16-7-10-23(11-8-16)20(24)17-5-3-4-6-18(17)21/h3-6,14-16,19,22H,7-13H2,1-2H3/t15-,19-/m1/s1
InChIKeyHSGBWZXVOVRVNL-DNVCBOLYSA-N
MW364.92 g/mol
LogP3.60
Rot. Bonds5

About (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone

(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone (PubChem CID 128995391) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone
PubChem CID128995391
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone
SMILESCC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN2O2/c1-14(2)19-15(9-12-25-19)13-22-16-7-10-23(11-8-16)20(24)17-5-3-4-6-18(17)21/h3-6,14-16,19,22H,7-13H2,1-2H3/t15-,19-/m1/s1
InChIKeyHSGBWZXVOVRVNL-DNVCBOLYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
N,N-dimethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 129000271
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 128995387
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone
CID 154755932
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone (CID 128995391) is (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone is CC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone?
The InChIKey is HSGBWZXVOVRVNL-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-14(2)19-15(9-12-25-19)13-22-16-7-10-23(11-8-16)20(24)17-5-3-4-6-18(17)21/h3-6,14-16,19,22H,7-13H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone has a molecular weight of 364.92 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 128995391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).