tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate

C23H42N4O4 — CID 69330353

IUPACtert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)N3CCOCC3)CC2)CC1
InChIInChI=1S/C23H42N4O4/c1-22(2,3)31-21(29)24-23(4,27-14-16-30-17-15-27)20(28)26-12-8-19(9-13-26)18-6-10-25(5)11-7-18/h18-19H,6-17H2,1-5H3,(H,24,29)/t23-/m0/s1
InChIKeyDIWZEEDIHDJWNF-QHCPKHFHSA-N
MW438.61 g/mol
LogP2.14
Rot. Bonds4

About tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate (PubChem CID 69330353) has the molecular formula C23H42N4O4 and a molecular weight of 438.61 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
PubChem CID69330353
Molecular FormulaC23H42N4O4
Molecular Weight438.61 g/mol
Exact Mass438.32
IUPAC Nametert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)N3CCOCC3)CC2)CC1
InChIInChI=1S/C23H42N4O4/c1-22(2,3)31-21(29)24-23(4,27-14-16-30-17-15-27)20(28)26-12-8-19(9-13-26)18-6-10-25(5)11-7-18/h18-19H,6-17H2,1-5H3,(H,24,29)/t23-/m0/s1
InChIKeyDIWZEEDIHDJWNF-QHCPKHFHSA-N
XLogP2.14
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 91365050
tert-butyl N-[(2R,3S)-3-methoxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 23540172
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 91173191
3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 58135814
tert-butyl N-(morpholine-4-carbothioyl)carbamate
CID 24894287
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-3-phenylsulfanylpropan-2-yl]carbamate
CID 23540176
tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
CID 107237353
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
CID 107237567
tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 69143161
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 91398556

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate (CID 69330353) is tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate is CN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)N3CCOCC3)CC2)CC1.
What is the InChIKey of tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is DIWZEEDIHDJWNF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H42N4O4/c1-22(2,3)31-21(29)24-23(4,27-14-16-30-17-15-27)20(28)26-12-8-19(9-13-26)18-6-10-25(5)11-7-18/h18-19H,6-17H2,1-5H3,(H,24,29)/t23-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 438.61 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 69330353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).