tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate

C24H38N4O4 — CID 86812976

IUPACtert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate
SMILESCC1CN(c2ccc(NC(=O)N3CCCC(N(C)C(=O)OC(C)(C)C)C3)cc2)CC(C)O1
InChIInChI=1S/C24H38N4O4/c1-17-14-28(15-18(2)31-17)20-11-9-19(10-12-20)25-22(29)27-13-7-8-21(16-27)26(6)23(30)32-24(3,4)5/h9-12,17-18,21H,7-8,13-16H2,1-6H3,(H,25,29)
InChIKeyWXHTZBXZAHLIRN-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate (PubChem CID 86812976) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate
PubChem CID86812976
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Nametert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate
SMILESCC1CN(c2ccc(NC(=O)N3CCCC(N(C)C(=O)OC(C)(C)C)C3)cc2)CC(C)O1
InChIInChI=1S/C24H38N4O4/c1-17-14-28(15-18(2)31-17)20-11-9-19(10-12-20)25-22(29)27-13-7-8-21(16-27)26(6)23(30)32-24(3,4)5/h9-12,17-18,21H,7-8,13-16H2,1-6H3,(H,25,29)
InChIKeyWXHTZBXZAHLIRN-UHFFFAOYSA-N
XLogP4.16
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-methylcarbamate
CID 75466771
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carboxamide
CID 95302613
tert-butyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-methylcarbamate
CID 71646916
tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate
CID 97166798
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide
CID 95300473
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide
CID 95057139
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
tert-butyl (2S)-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]carbamoylamino]-3-methylbutanoate
CID 97225791
tert-butyl N-[(3S)-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]-N-methylcarbamate
CID 97166802
tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate
CID 99800104
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493
tert-butyl N-methyl-N-[1-[4-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]phenyl]pyrrolidin-3-yl]carbamate
CID 58866886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate (CID 86812976) is tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate is CC1CN(c2ccc(NC(=O)N3CCCC(N(C)C(=O)OC(C)(C)C)C3)cc2)CC(C)O1.
What is the InChIKey of tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate?
The InChIKey is WXHTZBXZAHLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-17-14-28(15-18(2)31-17)20-11-9-19(10-12-20)25-22(29)27-13-7-8-21(16-27)26(6)23(30)32-24(3,4)5/h9-12,17-18,21H,7-8,13-16H2,1-6H3,(H,25,29).
What are the key properties of tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate has a molecular weight of 446.59 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoyl]piperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 86812976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).