piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone

C15H25N3O2 — CID 16925482

IUPACpiperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-8-18-12-13(14(16-18)20-11-4-2)15(19)17-9-6-5-7-10-17/h12H,3-11H2,1-2H3
InChIKeyCSLDNOPVQXHQMI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.71
Rot. Bonds6

About piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone

piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone (PubChem CID 16925482) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone
PubChem CID16925482
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namepiperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-3-8-18-12-13(14(16-18)20-11-4-2)15(19)17-9-6-5-7-10-17/h12H,3-11H2,1-2H3
InChIKeyCSLDNOPVQXHQMI-UHFFFAOYSA-N
XLogP2.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
CID 84649596
6-Methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
CID 84652336
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(4-methylpiperidin-1-yl)methanone
CID 16925246
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789426
tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
CID 71789500
3-methoxy-1-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 71796128
Ethyl 6,7-dihydro-5H-pyrazolo[5,1-B][1,3]oxazine-3-carboxylate
CID 52228126
N-Ethyl-3-methoxy-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 45097881
N-ethyl-1-methyl-3-(prop-2-yn-1-yloxy)-N-propyl-1H-pyrazole-4-carboxamide
CID 76334034
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 16925244

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone (CID 16925482) is piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone is CCCOc1nn(CCC)cc1C(=O)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone?
The InChIKey is CSLDNOPVQXHQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-8-18-12-13(14(16-18)20-11-4-2)15(19)17-9-6-5-7-10-17/h12H,3-11H2,1-2H3.
What are the key properties of piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone?
piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-propoxy-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 16925482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).