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

C19H37N3O3 — CID 66844927

IUPACtert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate
SMILESC[C@H]1CN([C@@H](C)CN2CCC(NC(=O)OC(C)(C)C)CC2)CC[C@@H]1O
InChIInChI=1S/C19H37N3O3/c1-14-12-22(11-8-17(14)23)15(2)13-21-9-6-16(7-10-21)20-18(24)25-19(3,4)5/h14-17,23H,6-13H2,1-5H3,(H,20,24)/t14-,15-,17-/m0/s1
InChIKeyUVAGJMNMSQNFDZ-ZOBUZTSGSA-N
MW355.52 g/mol
LogP2.07
Rot. Bonds4

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

tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate (PubChem CID 66844927) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate
PubChem CID66844927
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Nametert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate
SMILESC[C@H]1CN([C@@H](C)CN2CCC(NC(=O)OC(C)(C)C)CC2)CC[C@@H]1O
InChIInChI=1S/C19H37N3O3/c1-14-12-22(11-8-17(14)23)15(2)13-21-9-6-16(7-10-21)20-18(24)25-19(3,4)5/h14-17,23H,6-13H2,1-5H3,(H,20,24)/t14-,15-,17-/m0/s1
InChIKeyUVAGJMNMSQNFDZ-ZOBUZTSGSA-N
XLogP2.07
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-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-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate (CID 66844927) is tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate is C[C@H]1CN([C@@H](C)CN2CCC(NC(=O)OC(C)(C)C)CC2)CC[C@@H]1O.
What is the InChIKey of tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate?
The InChIKey is UVAGJMNMSQNFDZ-ZOBUZTSGSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-14-12-22(11-8-17(14)23)15(2)13-21-9-6-16(7-10-21)20-18(24)25-19(3,4)5/h14-17,23H,6-13H2,1-5H3,(H,20,24)/t14-,15-,17-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate has a molecular weight of 355.52 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66844927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).