N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide

C17H29N5O3 — CID 55641991

IUPACN-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCc1cc(C(=O)N2CCN(CC(=O)NCCCOC)CC2)n[nH]1
InChIInChI=1S/C17H29N5O3/c1-3-5-14-12-15(20-19-14)17(24)22-9-7-21(8-10-22)13-16(23)18-6-4-11-25-2/h12H,3-11,13H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyYPVJLILPCNIXCM-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.27
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55641991) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID55641991
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC NameN-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCc1cc(C(=O)N2CCN(CC(=O)NCCCOC)CC2)n[nH]1
InChIInChI=1S/C17H29N5O3/c1-3-5-14-12-15(20-19-14)17(24)22-9-7-21(8-10-22)13-16(23)18-6-4-11-25-2/h12H,3-11,13H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyYPVJLILPCNIXCM-UHFFFAOYSA-N
XLogP0.27
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46964948
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429129
2-[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428969
N-(3-methoxypropyl)-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876951
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-(3-methoxypropyl)-2-[4-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide
CID 55428887
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466264
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide
CID 55597701

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide (CID 55641991) is N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide is CCCc1cc(C(=O)N2CCN(CC(=O)NCCCOC)CC2)n[nH]1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is YPVJLILPCNIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-3-5-14-12-15(20-19-14)17(24)22-9-7-21(8-10-22)13-16(23)18-6-4-11-25-2/h12H,3-11,13H2,1-2H3,(H,18,23)(H,19,20).
What are the key properties of N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55641991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).