N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide

C18H26Cl2N4O — CID 11632418

IUPACN-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25)
InChIKeyZXBGDMYNCLFGDV-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.48
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 11632418) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
PubChem CID11632418
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25)
InChIKeyZXBGDMYNCLFGDV-UHFFFAOYSA-N
XLogP3.48
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diuron
CID 3120
Neburon
CID 11145
Cariprazine
CID 11154555
Cariprazine hydrochloride
CID 25096873
Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide
CID 675526
NAcM-OPT
CID 126711307
Cariprazine Impurity 37
CID 11259580
Trans-1-{4-[2-[4-(2,3-dichlorophenyl)-piperazin-1-yl]-ethyl]-cyclohexyl}-3-ethyl-urea
CID 11441732
1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
N-(3,4-dichlorophenyl)-4-[[(2S)-4-ethylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 11711078
N-(3,4-dichlorophenyl)-4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 57656641

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide (CID 11632418) is N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide is CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is ZXBGDMYNCLFGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 11632418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).