tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate

C18H30N4O4 — CID 165486035

IUPACtert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
SMILESCCCn1nc(C(=O)OC)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1N
InChIInChI=1S/C18H30N4O4/c1-6-9-22-15(19)13(14(20-22)16(23)25-5)12-7-10-21(11-8-12)17(24)26-18(2,3)4/h12H,6-11,19H2,1-5H3
InChIKeyPHJNKMFTPBTSCS-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate

tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate (PubChem CID 165486035) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
PubChem CID165486035
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
SMILESCCCn1nc(C(=O)OC)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1N
InChIInChI=1S/C18H30N4O4/c1-6-9-22-15(19)13(14(20-22)16(23)25-5)12-7-10-21(11-8-12)17(24)26-18(2,3)4/h12H,6-11,19H2,1-5H3
InChIKeyPHJNKMFTPBTSCS-UHFFFAOYSA-N
XLogP2.78
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-(5-amino-1-ethyl-3-methoxycarbonylpyrazol-4-yl)piperidine-1-carboxylate
CID 165475381
tert-butyl 4-[5-(chloromethoxycarbonyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate
CID 165440433
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-[2-(3-bromo-5-methoxycarbonylpyrazol-1-yl)ethyl]piperidine-1-carboxylate
CID 169408101
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 68570559
tert-butyl 4-(4-amino-2-fluoro-6-methoxyphenyl)piperidine-1-carboxylate
CID 166168193
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate (CID 165486035) is tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate is CCCn1nc(C(=O)OC)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1N.
What is the InChIKey of tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate?
The InChIKey is PHJNKMFTPBTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-6-9-22-15(19)13(14(20-22)16(23)25-5)12-7-10-21(11-8-12)17(24)26-18(2,3)4/h12H,6-11,19H2,1-5H3.
What are the key properties of tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 165486035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).