N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide

C17H27N5O2 — CID 97350616

IUPACN-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide
SMILESC[C@@H](Cc1ccnn1C)CN1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(11-15-5-6-18-20(15)2)12-21-7-9-22(10-8-21)17(24)16(23)19-14-3-4-14/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyNFKHRZVLNRDQMO-ZDUSSCGKSA-N
MW333.44 g/mol
LogP0.02
Rot. Bonds5

About N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 97350616) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID97350616
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide
SMILESC[C@@H](Cc1ccnn1C)CN1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(11-15-5-6-18-20(15)2)12-21-7-9-22(10-8-21)17(24)16(23)19-14-3-4-14/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyNFKHRZVLNRDQMO-ZDUSSCGKSA-N
XLogP0.02
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide (CID 97350616) is N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide is C[C@@H](Cc1ccnn1C)CN1CCN(C(=O)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is NFKHRZVLNRDQMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(11-15-5-6-18-20(15)2)12-21-7-9-22(10-8-21)17(24)16(23)19-14-3-4-14/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide?
N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 333.44 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2S)-2-methyl-3-(2-methylpyrazol-3-yl)propyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 97350616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).