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

C19H35N3O4 — CID 11474151

IUPACtert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(C2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-19(2,3)26-18(25)20-16(13-23)17(24)22-11-7-15(8-12-22)14-5-9-21(4)10-6-14/h14-16,23H,5-13H2,1-4H3,(H,20,25)/t16-/m0/s1
InChIKeyKSMXBSKGFYAWPF-INIZCTEOSA-N
MW369.51 g/mol
LogP1.45
Rot. Bonds4

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

tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 11474151) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID11474151
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Nametert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCN1CCC(C2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-19(2,3)26-18(25)20-16(13-23)17(24)22-11-7-15(8-12-22)14-5-9-21(4)10-6-14/h14-16,23H,5-13H2,1-4H3,(H,20,25)/t16-/m0/s1
InChIKeyKSMXBSKGFYAWPF-INIZCTEOSA-N
XLogP1.45
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate (CID 11474151) is tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate is CN1CCC(C2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is KSMXBSKGFYAWPF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-19(2,3)26-18(25)20-16(13-23)17(24)22-11-7-15(8-12-22)14-5-9-21(4)10-6-14/h14-16,23H,5-13H2,1-4H3,(H,20,25)/t16-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 369.51 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11474151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).