N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide

C18H25Cl2N3O2 — CID 144720389

IUPACN-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1CNC(=O)C1CCN(C2CN(C)C2)CC1
InChIInChI=1S/C18H25Cl2N3O2/c1-22-10-14(11-22)23-5-3-12(4-6-23)18(24)21-9-13-7-15(19)16(20)8-17(13)25-2/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,21,24)
InChIKeyISXLJRCEDREYRT-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.64
Rot. Bonds5

About N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide

N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide (PubChem CID 144720389) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
PubChem CID144720389
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC NameN-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1CNC(=O)C1CCN(C2CN(C)C2)CC1
InChIInChI=1S/C18H25Cl2N3O2/c1-22-10-14(11-22)23-5-3-12(4-6-23)18(24)21-9-13-7-15(19)16(20)8-17(13)25-2/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,21,24)
InChIKeyISXLJRCEDREYRT-UHFFFAOYSA-N
XLogP2.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 139439837
N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 158921013
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775353
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
1,1-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]thiolane-3-carboxamide
CID 18090481
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 126363982
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide (CID 144720389) is N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide is COc1cc(Cl)c(Cl)cc1CNC(=O)C1CCN(C2CN(C)C2)CC1.
What is the InChIKey of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide?
The InChIKey is ISXLJRCEDREYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O2/c1-22-10-14(11-22)23-5-3-12(4-6-23)18(24)21-9-13-7-15(19)16(20)8-17(13)25-2/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,21,24).
What are the key properties of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide?
N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide has a molecular weight of 386.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 144720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).