tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate

C19H30N4O4 — CID 99800104

IUPACtert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate
SMILESCOc1cccc(CNC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C19H30N4O4/c1-19(2,3)27-18(25)22(4)15-9-7-11-23(13-15)17(24)20-12-14-8-6-10-16(21-14)26-5/h6,8,10,15H,7,9,11-13H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyIDOMARZIUNOKGI-HNNXBMFYSA-N
MW378.47 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate (PubChem CID 99800104) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate
PubChem CID99800104
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nametert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate
SMILESCOc1cccc(CNC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C19H30N4O4/c1-19(2,3)27-18(25)22(4)15-9-7-11-23(13-15)17(24)20-12-14-8-6-10-16(21-14)26-5/h6,8,10,15H,7,9,11-13H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyIDOMARZIUNOKGI-HNNXBMFYSA-N
XLogP2.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate (CID 99800104) is tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate is COc1cccc(CNC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate?
The InChIKey is IDOMARZIUNOKGI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-19(2,3)27-18(25)22(4)15-9-7-11-23(13-15)17(24)20-12-14-8-6-10-16(21-14)26-5/h6,8,10,15H,7,9,11-13H2,1-5H3,(H,20,24)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate has a molecular weight of 378.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 99800104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).