morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone

C19H26N4O4 — CID 133320008

IUPACmorpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone
SMILESC=CCN1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26N4O4/c1-2-7-21-8-5-16(6-9-21)20-17-4-3-15(14-18(17)23(25)26)19(24)22-10-12-27-13-11-22/h2-4,14,16,20H,1,5-13H2
InChIKeyBJEGZVWMCMUZEY-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.13
Rot. Bonds6

About morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone

morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone (PubChem CID 133320008) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone
PubChem CID133320008
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Namemorpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone
SMILESC=CCN1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26N4O4/c1-2-7-21-8-5-16(6-9-21)20-17-4-3-15(14-18(17)23(25)26)19(24)22-10-12-27-13-11-22/h2-4,14,16,20H,1,5-13H2
InChIKeyBJEGZVWMCMUZEY-UHFFFAOYSA-N
XLogP2.13
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797008
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
(4-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone;hydrochloride
CID 119374093
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 52724340
[4-(4-methyl-2-nitroanilino)piperidin-1-yl]-(4-methylphenyl)methanone
CID 133389526
[4-(cyclopropylamino)-3-nitrophenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539671
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645510
1-[4-(cyclopropylamino)-3-nitrobenzoyl]pyrrolidine-3-carboxylic acid
CID 119354190
(3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 119378626
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 26590612
[4-[(1-ethylcyclopropyl)methylamino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133338332
[4-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133309723

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone (CID 133320008) is morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone is C=CCN1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone?
The InChIKey is BJEGZVWMCMUZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-7-21-8-5-16(6-9-21)20-17-4-3-15(14-18(17)23(25)26)19(24)22-10-12-27-13-11-22/h2-4,14,16,20H,1,5-13H2.
What are the key properties of morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone?
morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone has a molecular weight of 374.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-nitro-4-[(1-prop-2-enylpiperidin-4-yl)amino]phenyl]methanone is sourced from PubChem (CID 133320008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).