[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone

C19H28N4O4 — CID 133288147

IUPAC[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
SMILESCN1CCC(CN(C)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H28N4O4/c1-20-7-5-15(6-8-20)14-21(2)17-4-3-16(13-18(17)23(25)26)19(24)22-9-11-27-12-10-22/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyLAROIGHZIKEHBU-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.85
Rot. Bonds5

About [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone

[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone (PubChem CID 133288147) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
PubChem CID133288147
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
SMILESCN1CCC(CN(C)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H28N4O4/c1-20-7-5-15(6-8-20)14-21(2)17-4-3-16(13-18(17)23(25)26)19(24)22-9-11-27-12-10-22/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyLAROIGHZIKEHBU-UHFFFAOYSA-N
XLogP1.85
TPSA79.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-phenylmethanone
CID 133288144
1-[4-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-3-nitrophenyl]ethanone
CID 133315116
[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133463468
N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 25470819
[4-(3,5-dimethylpiperidin-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 78777281
5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-nitrobenzonitrile
CID 115501202
(3,4-dinitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 59139090
[4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133341758
[4-[cyclopropylmethyl(methyl)amino]-3-nitrophenyl]methanol
CID 54884212
morpholin-4-yl-[3-nitro-4-(4-propyl-1,4-diazepan-1-yl)phenyl]methanone
CID 133322486
N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-nitroaniline
CID 133288077
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 133288024

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone (CID 133288147) is [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone is CN1CCC(CN(C)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
The InChIKey is LAROIGHZIKEHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-20-7-5-15(6-8-20)14-21(2)17-4-3-16(13-18(17)23(25)26)19(24)22-9-11-27-12-10-22/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133288147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).