tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate

C19H30N4O3 — CID 164558505

IUPACtert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCn2cc(C3CC3)cc(N)c2=O)CC1
InChIInChI=1S/C19H30N4O3/c1-19(2,3)26-18(25)22-9-6-21(7-10-22)8-11-23-13-15(14-4-5-14)12-16(20)17(23)24/h12-14H,4-11,20H2,1-3H3
InChIKeyKOQUJZOQKVQHSZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.86
Rot. Bonds4

About tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate (PubChem CID 164558505) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate
PubChem CID164558505
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCn2cc(C3CC3)cc(N)c2=O)CC1
InChIInChI=1S/C19H30N4O3/c1-19(2,3)26-18(25)22-9-6-21(7-10-22)8-11-23-13-15(14-4-5-14)12-16(20)17(23)24/h12-14H,4-11,20H2,1-3H3
InChIKeyKOQUJZOQKVQHSZ-UHFFFAOYSA-N
XLogP1.86
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(2-amino-5-cyclopropylphenyl)methyl]piperazine-1-carboxylate
CID 146037472
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 165132372
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 67112018
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
tert-butyl 4-[2-(4-chloro-2-oxopyrrolidin-1-yl)ethyl]piperazine-1-carboxylate
CID 168687219
tert-butyl 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine-1-carboxylate
CID 89442949
tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
CID 107243510
tert-butyl 4-[2-[(3-amino-4-pyridinyl)methylamino]ethyl]piperazine-1-carboxylate
CID 90413831

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate (CID 164558505) is tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCn2cc(C3CC3)cc(N)c2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate?
The InChIKey is KOQUJZOQKVQHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-19(2,3)26-18(25)22-9-6-21(7-10-22)8-11-23-13-15(14-4-5-14)12-16(20)17(23)24/h12-14H,4-11,20H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 164558505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).