tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate

C19H27N3O4 — CID 139271621

IUPACtert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)CNC(=O)Cc2ccccn2)CC1
InChIInChI=1S/C19H27N3O4/c1-19(2,3)26-18(25)22-10-7-14(8-11-22)16(23)13-21-17(24)12-15-6-4-5-9-20-15/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,21,24)
InChIKeyDTZQXPBVQYEWJC-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate (PubChem CID 139271621) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate
PubChem CID139271621
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)CNC(=O)Cc2ccccn2)CC1
InChIInChI=1S/C19H27N3O4/c1-19(2,3)26-18(25)22-10-7-14(8-11-22)16(23)13-21-17(24)12-15-6-4-5-9-20-15/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,21,24)
InChIKeyDTZQXPBVQYEWJC-UHFFFAOYSA-N
XLogP1.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl (2S)-2-(2-pyridin-2-ylacetyl)pyrrolidine-1-carboxylate
CID 93481126
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen
CID 144563910
tert-butyl 4-[2-(2-methylsulfanylpyrimidin-4-yl)acetyl]piperidine-1-carboxylate
CID 21036756
tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
CID 107093198
tert-butyl 4-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111194456
tert-butyl 4-[[[2-(2-methoxy-3-pyridinyl)acetyl]amino]methyl]piperidine-1-carboxylate
CID 139805161
tert-butyl 4-[5-oxo-3-[[(2-pyridin-2-ylacetyl)amino]carbamoyl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018576
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate (CID 139271621) is tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)CNC(=O)Cc2ccccn2)CC1.
What is the InChIKey of tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate?
The InChIKey is DTZQXPBVQYEWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(2,3)26-18(25)22-10-7-14(8-11-22)16(23)13-21-17(24)12-15-6-4-5-9-20-15/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 1.96, 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-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate is sourced from PubChem (CID 139271621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).