2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide

C18H23Cl2N3O2 — CID 168654867

IUPAC2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(CCl)NCC1CCN(C(=O)C2(Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24)
InChIKeyDHBSEKKUOIXZLH-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.88
Rot. Bonds6

About 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide

2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 168654867) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID168654867
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(CCl)NCC1CCN(C(=O)C2(Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24)
InChIKeyDHBSEKKUOIXZLH-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 168654849
[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 174388279
N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922215
(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 166781988
2-chloro-N-[[1-(4-methylphenyl)sulfanylpiperidin-4-yl]methyl]acetamide
CID 177152436
methyl 1-(4-chloroanilino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 63525579
tert-butyl N-[3-[4-[[3-(4-chlorophenyl)propanoylamino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919402
methyl 1-(4-chloroanilino)-4-methylcyclohexane-1-carboxylate
CID 54890558
tert-butyl (3R)-3-[[(4-chlorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 58748194
N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
1-(4-chloroanilino)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide (CID 168654867) is 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide is O=C(CCl)NCC1CCN(C(=O)C2(Nc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is DHBSEKKUOIXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24).
What are the key properties of 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 384.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 168654867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).