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

C16H28N4O2 — CID 75434801

IUPACtert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
SMILESCCCn1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H28N4O2/c1-5-8-20-12-14(11-17-20)18-13-6-9-19(10-7-13)15(21)22-16(2,3)4/h11-13,18H,5-10H2,1-4H3
InChIKeyYXALSLAYJWAMSX-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.10
Rot. Bonds4

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

tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate (PubChem CID 75434801) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
PubChem CID75434801
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
SMILESCCCn1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H28N4O2/c1-5-8-20-12-14(11-17-20)18-13-6-9-19(10-7-13)15(21)22-16(2,3)4/h11-13,18H,5-10H2,1-4H3
InChIKeyYXALSLAYJWAMSX-UHFFFAOYSA-N
XLogP3.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate
CID 174614220
tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 107253321
2-[4-[(1-acetylpiperidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 43783533
5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 162047212
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[(1-methyl-6-oxo-3-pyridinyl)amino]azepane-1-carboxylate
CID 103981675
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
tert-butyl 4-[4-(cyclopropylmethylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104587606
tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 134512059
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate (CID 75434801) is tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate is CCCn1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is YXALSLAYJWAMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-8-20-12-14(11-17-20)18-13-6-9-19(10-7-13)15(21)22-16(2,3)4/h11-13,18H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 75434801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).