1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C18H31N5O2 — CID 51098378

IUPAC1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(C)C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C18H31N5O2/c1-6-23-12-15(11-19-23)20-17(25)14-7-9-22(10-8-14)13(2)16(24)21-18(3,4)5/h11-14H,6-10H2,1-5H3,(H,20,25)(H,21,24)
InChIKeyVHBLGRGOJFAROT-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.86
Rot. Bonds5

About 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 51098378) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID51098378
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(C)C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C18H31N5O2/c1-6-23-12-15(11-19-23)20-17(25)14-7-9-22(10-8-14)13(2)16(24)21-18(3,4)5/h11-14H,6-10H2,1-5H3,(H,20,25)(H,21,24)
InChIKeyVHBLGRGOJFAROT-UHFFFAOYSA-N
XLogP1.86
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 51098378) is 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(C)C(=O)NC(C)(C)C)CC2)cn1.
What is the InChIKey of 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is VHBLGRGOJFAROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-6-23-12-15(11-19-23)20-17(25)14-7-9-22(10-8-14)13(2)16(24)21-18(3,4)5/h11-14H,6-10H2,1-5H3,(H,20,25)(H,21,24).
What are the key properties of 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51098378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).