tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate

C25H36Cl2N2O3 — CID 66627799

IUPACtert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCN2CCC(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1
InChIInChI=1S/C25H36Cl2N2O3/c1-25(2,3)32-24(31)28-20-7-4-17(5-8-20)10-13-29-14-11-18(12-15-29)23(30)21-16-19(26)6-9-22(21)27/h6,9,16-18,20H,4-5,7-8,10-15H2,1-3H3,(H,28,31)
InChIKeyZYHWTSVNKNOMMR-UHFFFAOYSA-N
MW483.48 g/mol
LogP6.36
Rot. Bonds6

About tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate

tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate (PubChem CID 66627799) has the molecular formula C25H36Cl2N2O3 and a molecular weight of 483.48 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
PubChem CID66627799
Molecular FormulaC25H36Cl2N2O3
Molecular Weight483.48 g/mol
Exact Mass482.21
IUPAC Nametert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCN2CCC(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1
InChIInChI=1S/C25H36Cl2N2O3/c1-25(2,3)32-24(31)28-20-7-4-17(5-8-20)10-13-29-14-11-18(12-15-29)23(30)21-16-19(26)6-9-22(21)27/h6,9,16-18,20H,4-5,7-8,10-15H2,1-3H3,(H,28,31)
InChIKeyZYHWTSVNKNOMMR-UHFFFAOYSA-N
XLogP6.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[2-[4-(2,4-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 66628199
2-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66627833
tert-butyl N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 68902335
tert-butyl 4-[5-chloro-2-(difluoromethyl)benzoyl]piperidine-1-carboxylate
CID 58539768
tert-butyl N-[1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]piperidin-4-yl]carbamate
CID 60512994
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
tert-butyl N-[4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 72736382
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl 4-(5-chloro-2-methylbenzoyl)piperidine-1-carboxylate
CID 58539966
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 56771223
tert-butyl N-[1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 55736744
tert-butyl N-[4-[2-[4-[5,6-dichloro-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 57454169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate (CID 66627799) is tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CCN2CCC(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
The InChIKey is ZYHWTSVNKNOMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36Cl2N2O3/c1-25(2,3)32-24(31)28-20-7-4-17(5-8-20)10-13-29-14-11-18(12-15-29)23(30)21-16-19(26)6-9-22(21)27/h6,9,16-18,20H,4-5,7-8,10-15H2,1-3H3,(H,28,31).
What are the key properties of tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate has a molecular weight of 483.48 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 66627799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).