[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C18H30N4O2 — CID 122136096

IUPAC[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)n1
InChIInChI=1S/C18H30N4O2/c1-15(2)22-10-6-17(19-22)18(23)21-8-4-16(5-9-21)3-7-20-11-13-24-14-12-20/h6,10,15-16H,3-5,7-9,11-14H2,1-2H3
InChIKeyVQYSFCQQAKFGTQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.04
Rot. Bonds5

About [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 122136096) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID122136096
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)n1
InChIInChI=1S/C18H30N4O2/c1-15(2)22-10-6-17(19-22)18(23)21-8-4-16(5-9-21)3-7-20-11-13-24-14-12-20/h6,10,15-16H,3-5,7-9,11-14H2,1-2H3
InChIKeyVQYSFCQQAKFGTQ-UHFFFAOYSA-N
XLogP2.04
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 39834967
(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 127850790
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
CID 122157670
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 86945340
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122154914
(3aS,7aS)-2-(1-propan-2-ylpyrazole-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627271
(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 60604928
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 133131911

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 122136096) is [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)n1.
What is the InChIKey of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is VQYSFCQQAKFGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15(2)22-10-6-17(19-22)18(23)21-8-4-16(5-9-21)3-7-20-11-13-24-14-12-20/h6,10,15-16H,3-5,7-9,11-14H2,1-2H3.
What are the key properties of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 334.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 122136096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).