N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide

C14H19Cl2N3O — CID 63250141

IUPACN-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
SMILESCNCC1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O/c1-17-9-11-4-2-3-7-19(11)14(20)18-10-5-6-12(15)13(16)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyXTMUYASACXXFTJ-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.60
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide

N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide (PubChem CID 63250141) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
PubChem CID63250141
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
SMILESCNCC1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O/c1-17-9-11-4-2-3-7-19(11)14(20)18-10-5-6-12(15)13(16)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyXTMUYASACXXFTJ-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250320
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
tert-butyl 2-[(3,4-dichloroanilino)methyl]piperidine-1-carboxylate
CID 106632864
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide (CID 63250141) is N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide is CNCC1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
The InChIKey is XTMUYASACXXFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-17-9-11-4-2-3-7-19(11)14(20)18-10-5-6-12(15)13(16)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,20).
What are the key properties of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide is sourced from PubChem (CID 63250141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).