tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate

C18H25ClN4O3 — CID 86686152

IUPACtert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2cnc(Cl)nc2)C2CC2)CC1
InChIInChI=1S/C18H25ClN4O3/c1-18(2,3)26-17(25)22-8-6-14(7-9-22)23(13-4-5-13)15(24)12-10-20-16(19)21-11-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLAFAESLKQBXESC-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate

tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate (PubChem CID 86686152) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate
PubChem CID86686152
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Nametert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2cnc(Cl)nc2)C2CC2)CC1
InChIInChI=1S/C18H25ClN4O3/c1-18(2,3)26-17(25)22-8-6-14(7-9-22)23(13-4-5-13)15(24)12-10-20-16(19)21-11-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLAFAESLKQBXESC-UHFFFAOYSA-N
XLogP3.13
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 73388329
tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate
CID 118300930
tert-butyl 4-[cyclopropyl-[2-[4-[2-[(2S)-2-iodopyrrolidin-1-yl]-2-oxoethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 90070744
tert-butyl 4-[[2-[4-[2-(2-aminopyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrimidine-5-carbonyl]-cyclopropylamino]piperidine-1-carboxylate
CID 123676447
tert-butyl 4-[cyclopropyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300916
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300921
tert-butyl 4-[cyclopropyl-[2-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 90070664
tert-butyl 4-[cyclopropyl-[4-[4-(methylsulfamoyl)phenyl]benzoyl]amino]piperidine-1-carboxylate
CID 118300931
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-[cyclopropyl-[2-[4-[hydroxy-(1,3-oxazol-4-ylmethylamino)methyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 123189862
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate (CID 86686152) is tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cnc(Cl)nc2)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate?
The InChIKey is LAFAESLKQBXESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-18(2,3)26-17(25)22-8-6-14(7-9-22)23(13-4-5-13)15(24)12-10-20-16(19)21-11-12/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate has a molecular weight of 380.88 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86686152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).