4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane

C25H41Cl2N3O2 — CID 173135978

IUPAC4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
SMILESC.C.O=C(NCC1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1)C1CCCCCCC1
InChIInChI=1S/C23H33Cl2N3O2.2CH4/c24-20-9-8-19(21(25)14-20)16-27-23(30)28-12-10-17(11-13-28)15-26-22(29)18-6-4-2-1-3-5-7-18;;/h8-9,14,17-18H,1-7,10-13,15-16H2,(H,26,29)(H,27,30);2*1H4
InChIKeyOMDFVWSWNJPCQI-UHFFFAOYSA-N
MW486.53 g/mol
LogP6.66
Rot. Bonds5

About 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane

4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane (PubChem CID 173135978) has the molecular formula C25H41Cl2N3O2 and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane.

Molecular Properties

Compound Name4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
PubChem CID173135978
Molecular FormulaC25H41Cl2N3O2
Molecular Weight486.53 g/mol
Exact Mass485.26
IUPAC Name4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
SMILESC.C.O=C(NCC1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1)C1CCCCCCC1
InChIInChI=1S/C23H33Cl2N3O2.2CH4/c24-20-9-8-19(21(25)14-20)16-27-23(30)28-12-10-17(11-13-28)15-26-22(29)18-6-4-2-1-3-5-7-18;;/h8-9,14,17-18H,1-7,10-13,15-16H2,(H,26,29)(H,27,30);2*1H4
InChIKeyOMDFVWSWNJPCQI-UHFFFAOYSA-N
XLogP6.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
N-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136420
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72912147
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 1004020
N-[(2,4-dichlorophenyl)methyl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126060422
N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane?
The IUPAC name of 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane (CID 173135978) is 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane.
What is the SMILES notation for 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane?
The canonical SMILES for 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane is C.C.O=C(NCC1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1)C1CCCCCCC1.
What is the InChIKey of 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane?
The InChIKey is OMDFVWSWNJPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33Cl2N3O2.2CH4/c24-20-9-8-19(21(25)14-20)16-27-23(30)28-12-10-17(11-13-28)15-26-22(29)18-6-4-2-1-3-5-7-18;;/h8-9,14,17-18H,1-7,10-13,15-16H2,(H,26,29)(H,27,30);2*1H4.
What are the key properties of 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane?
4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane has a molecular weight of 486.53 g/mol, XLogP of 6.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane is sourced from PubChem (CID 173135978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).