N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide

C17H29N5O2 — CID 51098382

IUPACN-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(=O)NCC(C)C)CC2)cn1
InChIInChI=1S/C17H29N5O2/c1-4-22-11-15(10-19-22)20-17(24)14-5-7-21(8-6-14)12-16(23)18-9-13(2)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,23)(H,20,24)
InChIKeyKQPKANABDMIAJF-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.33
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 51098382) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID51098382
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(=O)NCC(C)C)CC2)cn1
InChIInChI=1S/C17H29N5O2/c1-4-22-11-15(10-19-22)20-17(24)14-5-7-21(8-6-14)12-16(23)18-9-13(2)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,23)(H,20,24)
InChIKeyKQPKANABDMIAJF-UHFFFAOYSA-N
XLogP1.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 51098382) is N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(CC(=O)NCC(C)C)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is KQPKANABDMIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-22-11-15(10-19-22)20-17(24)14-5-7-21(8-6-14)12-16(23)18-9-13(2)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,23)(H,20,24).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 51098382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).