N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

C18H29N5O2 — CID 56813930

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NC2CCN(CC(N)=O)CC2)cc1C1CC1
InChIInChI=1S/C18H29N5O2/c1-18(2,3)23-15(12-4-5-12)10-14(21-23)17(25)20-13-6-8-22(9-7-13)11-16(19)24/h10,12-13H,4-9,11H2,1-3H3,(H2,19,24)(H,20,25)
InChIKeyOCMTVQXOVTZXKE-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.20
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (PubChem CID 56813930) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
PubChem CID56813930
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NC2CCN(CC(N)=O)CC2)cc1C1CC1
InChIInChI=1S/C18H29N5O2/c1-18(2,3)23-15(12-4-5-12)10-14(21-23)17(25)20-13-6-8-22(9-7-13)11-16(19)24/h10,12-13H,4-9,11H2,1-3H3,(H2,19,24)(H,20,25)
InChIKeyOCMTVQXOVTZXKE-UHFFFAOYSA-N
XLogP1.20
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (CID 56813930) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)NC2CCN(CC(N)=O)CC2)cc1C1CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The InChIKey is OCMTVQXOVTZXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-18(2,3)23-15(12-4-5-12)10-14(21-23)17(25)20-13-6-8-22(9-7-13)11-16(19)24/h10,12-13H,4-9,11H2,1-3H3,(H2,19,24)(H,20,25).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 56813930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).