4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one

C18H29N5O3 — CID 56887679

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCNCC2C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H29N5O3/c1-14-12-15(2)23(20-14)6-3-4-17(24)22-7-5-19-13-16(22)18(25)21-8-10-26-11-9-21/h12,16,19H,3-11,13H2,1-2H3
InChIKeyUCNRFGPZWXYUIM-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.06
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one

4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 56887679) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID56887679
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCNCC2C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H29N5O3/c1-14-12-15(2)23(20-14)6-3-4-17(24)22-7-5-19-13-16(22)18(25)21-8-10-26-11-9-21/h12,16,19H,3-11,13H2,1-2H3
InChIKeyUCNRFGPZWXYUIM-UHFFFAOYSA-N
XLogP-0.06
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110124474
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one
CID 124961386
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 95724884
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
CID 95720314
[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95726530
4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide
CID 125442724
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115569816
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
4-(3,5-dimethylpyrazol-1-yl)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 110108127

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one (CID 56887679) is 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one is Cc1cc(C)n(CCCC(=O)N2CCNCC2C(=O)N2CCOCC2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is UCNRFGPZWXYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14-12-15(2)23(20-14)6-3-4-17(24)22-7-5-19-13-16(22)18(25)21-8-10-26-11-9-21/h12,16,19H,3-11,13H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one?
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 363.46 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 56887679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).