tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate

C18H34N4O4 — CID 23540256

IUPACtert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(N2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N4O4/c1-18(2,3)26-17(25)19-15(13-23)16(24)22-11-9-21(10-12-22)14-5-7-20(4)8-6-14/h14-15,23H,5-13H2,1-4H3,(H,19,25)/t15-/m1/s1
InChIKeyGWSWPWMSIXBDDK-OAHLLOKOSA-N
MW370.49 g/mol
LogP0.11
Rot. Bonds4

About tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 23540256) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID23540256
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Nametert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(N2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N4O4/c1-18(2,3)26-17(25)19-15(13-23)16(24)22-11-9-21(10-12-22)14-5-7-20(4)8-6-14/h14-15,23H,5-13H2,1-4H3,(H,19,25)/t15-/m1/s1
InChIKeyGWSWPWMSIXBDDK-OAHLLOKOSA-N
XLogP0.11
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate (CID 23540256) is tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate is CN1CCC(N2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is GWSWPWMSIXBDDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-18(2,3)26-17(25)19-15(13-23)16(24)22-11-9-21(10-12-22)14-5-7-20(4)8-6-14/h14-15,23H,5-13H2,1-4H3,(H,19,25)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 23540256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).