N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide

C17H29N5O2 — CID 51098380

IUPACN-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
SMILESCCCNC(=O)C(C)N1CCC(C(=O)Nc2cnn(CC)c2)CC1
InChIInChI=1S/C17H29N5O2/c1-4-8-18-16(23)13(3)21-9-6-14(7-10-21)17(24)20-15-11-19-22(5-2)12-15/h11-14H,4-10H2,1-3H3,(H,18,23)(H,20,24)
InChIKeyPHYZSRJXQUYNQP-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.47
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide (PubChem CID 51098380) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
PubChem CID51098380
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
SMILESCCCNC(=O)C(C)N1CCC(C(=O)Nc2cnn(CC)c2)CC1
InChIInChI=1S/C17H29N5O2/c1-4-8-18-16(23)13(3)21-9-6-14(7-10-21)17(24)20-15-11-19-22(5-2)12-15/h11-14H,4-10H2,1-3H3,(H,18,23)(H,20,24)
InChIKeyPHYZSRJXQUYNQP-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide (CID 51098380) is N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide is CCCNC(=O)C(C)N1CCC(C(=O)Nc2cnn(CC)c2)CC1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is PHYZSRJXQUYNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-8-18-16(23)13(3)21-9-6-14(7-10-21)17(24)20-15-11-19-22(5-2)12-15/h11-14H,4-10H2,1-3H3,(H,18,23)(H,20,24).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.47, 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-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51098380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).