tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate

C19H27N5O2 — CID 69044350

IUPACtert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(-c3ccn[nH]3)cc2N)CC1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)22-14-7-10-24(11-8-14)17-5-4-13(12-15(17)20)16-6-9-21-23-16/h4-6,9,12,14H,7-8,10-11,20H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyKOBIFBCSMGUQAK-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate (PubChem CID 69044350) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate
PubChem CID69044350
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Nametert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(-c3ccn[nH]3)cc2N)CC1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)22-14-7-10-24(11-8-14)17-5-4-13(12-15(17)20)16-6-9-21-23-16/h4-6,9,12,14H,7-8,10-11,20H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyKOBIFBCSMGUQAK-UHFFFAOYSA-N
XLogP3.15
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate (CID 69044350) is tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccc(-c3ccn[nH]3)cc2N)CC1.
What is the InChIKey of tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate?
The InChIKey is KOBIFBCSMGUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)22-14-7-10-24(11-8-14)17-5-4-13(12-15(17)20)16-6-9-21-23-16/h4-6,9,12,14H,7-8,10-11,20H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate has a molecular weight of 357.46 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-amino-4-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 69044350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).