morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone

C22H32N2O4 — CID 112767205

IUPACmorpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
SMILESCCCCCOc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C22H32N2O4/c1-2-3-4-15-28-20-7-5-18(6-8-20)21(25)23-11-9-19(10-12-23)22(26)24-13-16-27-17-14-24/h5-8,19H,2-4,9-17H2,1H3
InChIKeyRVIDIVRFJQZHRB-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.97
Rot. Bonds7

About morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone

morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone (PubChem CID 112767205) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
PubChem CID112767205
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Namemorpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
SMILESCCCCCOc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C22H32N2O4/c1-2-3-4-15-28-20-7-5-18(6-8-20)21(25)23-11-9-19(10-12-23)22(26)24-13-16-27-17-14-24/h5-8,19H,2-4,9-17H2,1H3
InChIKeyRVIDIVRFJQZHRB-UHFFFAOYSA-N
XLogP2.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
[4-(4-butoxybenzoyl)-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110809316
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
[4-[4-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxypiperidine-1-carbonyl]phenyl] 4-dodecoxybenzoate
CID 102208723
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone (CID 112767205) is morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone is CCCCCOc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is RVIDIVRFJQZHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-2-3-4-15-28-20-7-5-18(6-8-20)21(25)23-11-9-19(10-12-23)22(26)24-13-16-27-17-14-24/h5-8,19H,2-4,9-17H2,1H3.
What are the key properties of morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone?
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 388.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 112767205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).