1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide

C23H34ClN3O3 — CID 42693238

IUPAC1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H34ClN3O3/c1-17(2)15-25-23(29)18-7-11-26(12-8-18)20-9-13-27(14-10-20)22(28)16-30-21-5-3-19(24)4-6-21/h3-6,17-18,20H,7-16H2,1-2H3,(H,25,29)
InChIKeyGTUAOQRJBNPFJM-UHFFFAOYSA-N
MW436.00 g/mol
LogP3.19
Rot. Bonds7

About 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 42693238) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID42693238
Molecular FormulaC23H34ClN3O3
Molecular Weight436.00 g/mol
Exact Mass435.23
IUPAC Name1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H34ClN3O3/c1-17(2)15-25-23(29)18-7-11-26(12-8-18)20-9-13-27(14-10-20)22(28)16-30-21-5-3-19(24)4-6-21/h3-6,17-18,20H,7-16H2,1-2H3,(H,25,29)
InChIKeyGTUAOQRJBNPFJM-UHFFFAOYSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
2-(4-chlorophenoxy)-1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]ethanone;oxalic acid
CID 2913008
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
CID 134003439
N-[(2S)-2-(4-chlorophenoxy)propyl]-1-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
CID 124738093
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082526
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 42693238) is 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is GTUAOQRJBNPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O3/c1-17(2)15-25-23(29)18-7-11-26(12-8-18)20-9-13-27(14-10-20)22(28)16-30-21-5-3-19(24)4-6-21/h3-6,17-18,20H,7-16H2,1-2H3,(H,25,29).
What are the key properties of 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 436.00 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 42693238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).