tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate

C19H29N3O4 — CID 139805161

IUPACtert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate
SMILESCOc1ncccc1CC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-10-7-14(8-11-22)13-21-16(23)12-15-6-5-9-20-17(15)25-4/h5-6,9,14H,7-8,10-13H2,1-4H3,(H,21,23)
InChIKeyYEXRMNBWECQPNR-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.40
Rot. Bonds5

About tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 139805161) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate
PubChem CID139805161
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate
SMILESCOc1ncccc1CC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-10-7-14(8-11-22)13-21-16(23)12-15-6-5-9-20-17(15)25-4/h5-6,9,14H,7-8,10-13H2,1-4H3,(H,21,23)
InChIKeyYEXRMNBWECQPNR-UHFFFAOYSA-N
XLogP2.40
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(3-pyridinyl)ethyl]-3-piperidinecarboxamide
CID 24793122
1-(3-methoxybenzyl)-6-oxo-N-[3-(4-pyridinyl)propyl]-3-piperidinecarboxamide
CID 24793173
1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[3-(4-pyridinyl)propyl]-3-piperidinecarboxamide
CID 45228757
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930543
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
CID 71698637
US11045457, Example 1
CID 146401891
US11045457, Example 143
CID 146401926
US11045457, Example 142
CID 146402361
US11045457, Example 85
CID 146402422
US11045457, Example 127
CID 146423617
N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 37485935
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 38533689

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate (CID 139805161) is tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate is COc1ncccc1CC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is YEXRMNBWECQPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-10-7-14(8-11-22)13-21-16(23)12-15-6-5-9-20-17(15)25-4/h5-6,9,14H,7-8,10-13H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 139805161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).