tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate

C23H33N3O5 — CID 42884587

IUPACtert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)24-19-8-6-17(7-9-19)15-20(27)26-10-4-5-18(16-26)21(28)25-11-13-30-14-12-25/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,29)
InChIKeySIXUSIJBZINQEI-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.67
Rot. Bonds4

About tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate (PubChem CID 42884587) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
PubChem CID42884587
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nametert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)24-19-8-6-17(7-9-19)15-20(27)26-10-4-5-18(16-26)21(28)25-11-13-30-14-12-25/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,29)
InChIKeySIXUSIJBZINQEI-UHFFFAOYSA-N
XLogP2.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-2-oxoethyl]phenyl]carbamate
CID 46558468
2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 55743877
ethyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidine-3-carboxylate
CID 46612194
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55517872
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55518467
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273
tert-butyl N-[4-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]phenyl]carbamate
CID 51949196
tert-butyl N-[4-[2-[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]carbamate
CID 167848474

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate (CID 42884587) is tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The InChIKey is SIXUSIJBZINQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)24-19-8-6-17(7-9-19)15-20(27)26-10-4-5-18(16-26)21(28)25-11-13-30-14-12-25/h6-9,18H,4-5,10-16H2,1-3H3,(H,24,29).
What are the key properties of tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate has a molecular weight of 431.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 42884587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).