N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C16H22Cl2N2O2 — CID 110922372

IUPACN-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-11(15-13(17)3-2-4-14(15)18)9-19-16(22)20-7-5-12(10-21)6-8-20/h2-4,11-12,21H,5-10H2,1H3,(H,19,22)
InChIKeyUAFKAEDJBQLATB-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.51
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110922372) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110922372
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC NameN-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-11(15-13(17)3-2-4-14(15)18)9-19-16(22)20-7-5-12(10-21)6-8-20/h2-4,11-12,21H,5-10H2,1H3,(H,19,22)
InChIKeyUAFKAEDJBQLATB-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71991884
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185
N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111509002
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958911
4-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 111507660
4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
CID 111123444
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110922372) is N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide is CC(CNC(=O)N1CCC(CO)CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UAFKAEDJBQLATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-11(15-13(17)3-2-4-14(15)18)9-19-16(22)20-7-5-12(10-21)6-8-20/h2-4,11-12,21H,5-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 345.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110922372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).