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

C22H41N5O4 — CID 91365050

IUPACtert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)N3CCOCC3)CC2)CC1
InChIInChI=1S/C22H41N5O4/c1-21(2,3)31-20(29)23-22(4,27-14-16-30-17-15-27)19(28)26-12-10-25(11-13-26)18-6-8-24(5)9-7-18/h18H,6-17H2,1-5H3,(H,23,29)/t22-/m1/s1
InChIKeyQRZWNZRUCCBYSR-JOCHJYFZSA-N
MW439.60 g/mol
LogP0.80
Rot. Bonds4

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

tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate (PubChem CID 91365050) has the molecular formula C22H41N5O4 and a molecular weight of 439.60 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
PubChem CID91365050
Molecular FormulaC22H41N5O4
Molecular Weight439.60 g/mol
Exact Mass439.32
IUPAC Nametert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)N3CCOCC3)CC2)CC1
InChIInChI=1S/C22H41N5O4/c1-21(2,3)31-20(29)23-22(4,27-14-16-30-17-15-27)19(28)26-12-10-25(11-13-26)18-6-8-24(5)9-7-18/h18H,6-17H2,1-5H3,(H,23,29)/t22-/m1/s1
InChIKeyQRZWNZRUCCBYSR-JOCHJYFZSA-N
XLogP0.80
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 69330353
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
5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69329098
tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(oxan-4-yl)carbamate
CID 91414438
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91082020
2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119891927
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide
CID 90885496
tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 22321740
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate (CID 91365050) is tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate is CN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)N3CCOCC3)CC2)CC1.
What is the InChIKey of tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is QRZWNZRUCCBYSR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H41N5O4/c1-21(2,3)31-20(29)23-22(4,27-14-16-30-17-15-27)19(28)26-12-10-25(11-13-26)18-6-8-24(5)9-7-18/h18H,6-17H2,1-5H3,(H,23,29)/t22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 439.60 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 91365050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).