tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate

C18H32N4O2 — CID 75473183

IUPACtert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCCCn1cc(NC(C)C2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C18H32N4O2/c1-6-9-22-13-16(11-19-22)20-14(2)15-8-7-10-21(12-15)17(23)24-18(3,4)5/h11,13-15,20H,6-10,12H2,1-5H3
InChIKeyAXDSSHJBRSSLCS-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 75473183) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
PubChem CID75473183
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCCCn1cc(NC(C)C2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C18H32N4O2/c1-6-9-22-13-16(11-19-22)20-14(2)15-8-7-10-21(12-15)17(23)24-18(3,4)5/h11,13-15,20H,6-10,12H2,1-5H3
InChIKeyAXDSSHJBRSSLCS-UHFFFAOYSA-N
XLogP3.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
tert-Butyl 3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CID 46738147
tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
CID 84728083
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 53574326
Tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 56827321
1-(1-Ethylpyrazol-4-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 45825564
1-[(1-Ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea
CID 47480763
tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate
CID 71853187

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate (CID 75473183) is tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate is CCCn1cc(NC(C)C2CCCN(C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is AXDSSHJBRSSLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-6-9-22-13-16(11-19-22)20-14(2)15-8-7-10-21(12-15)17(23)24-18(3,4)5/h11,13-15,20H,6-10,12H2,1-5H3.
What are the key properties of tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 75473183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).