N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide

C19H27ClN2O3 — CID 138807976

IUPACN-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C19H27ClN2O3/c20-18-4-2-1-3-16(18)13-21-19(23)15-5-8-22(9-6-15)10-7-17-14-24-11-12-25-17/h1-4,15,17H,5-14H2,(H,21,23)
InChIKeyATSHHGRYLNBTIZ-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.47
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 138807976) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID138807976
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C19H27ClN2O3/c20-18-4-2-1-3-16(18)13-21-19(23)15-5-8-22(9-6-15)10-7-17-14-24-11-12-25-17/h1-4,15,17H,5-14H2,(H,21,23)
InChIKeyATSHHGRYLNBTIZ-UHFFFAOYSA-N
XLogP2.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016925
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152804
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165808

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide (CID 138807976) is N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(CCC2COCCO2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is ATSHHGRYLNBTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c20-18-4-2-1-3-16(18)13-21-19(23)15-5-8-22(9-6-15)10-7-17-14-24-11-12-25-17/h1-4,15,17H,5-14H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 138807976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).