2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide

C20H27Cl2N3O3 — CID 168654849

IUPAC2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(CCl)NCC1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)CC1
InChIInChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26)
InChIKeyXLXIHGVMOSYPHT-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.43
Rot. Bonds6

About 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide

2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 168654849) has the molecular formula C20H27Cl2N3O3 and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID168654849
Molecular FormulaC20H27Cl2N3O3
Molecular Weight428.36 g/mol
Exact Mass427.14
IUPAC Name2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(CCl)NCC1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)CC1
InChIInChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26)
InChIKeyXLXIHGVMOSYPHT-UHFFFAOYSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 168654867
1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one
CID 50954424
[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 50977359
4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50980610
(2S)-1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 50976871
2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 122107222
4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 50980900
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922215
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
2-chloro-N-[[1-(4-methylphenyl)sulfanylpiperidin-4-yl]methyl]acetamide
CID 177152436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide (CID 168654849) is 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide is O=C(CCl)NCC1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)CC1.
What is the InChIKey of 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is XLXIHGVMOSYPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26).
What are the key properties of 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide?
2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 428.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 168654849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).