morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone

C23H36N4O4 — CID 18352913

IUPACmorpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H36N4O4/c1-3-9-26(19(2)16-21-5-4-6-22(17-21)27(29)30)18-20-7-10-24(11-8-20)23(28)25-12-14-31-15-13-25/h4-6,17,19-20H,3,7-16,18H2,1-2H3
InChIKeyHPWQEQUNYOBOEA-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.40
Rot. Bonds8

About morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone

morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone (PubChem CID 18352913) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone
PubChem CID18352913
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Namemorpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H36N4O4/c1-3-9-26(19(2)16-21-5-4-6-22(17-21)27(29)30)18-20-7-10-24(11-8-20)23(28)25-12-14-31-15-13-25/h4-6,17,19-20H,3,7-16,18H2,1-2H3
InChIKeyHPWQEQUNYOBOEA-UHFFFAOYSA-N
XLogP3.40
TPSA79.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-[3-[(2S)-2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 69142252
[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 15546289
4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18353184
[4-[[[(2S)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)propan-2-yl]-ethylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 70214315
N-ethyl-4-(morpholine-4-carbonyl)-N'-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111346482
[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 46134948
N-[methylsulfonyl(piperidin-4-yl)methyl]-1-(3-nitrophenyl)-N-propylpropan-2-amine
CID 18353162
1-(3-nitrophenyl)pentan-2-amine
CID 65019651
1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920498
1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one
CID 53415708
2-[methyl(oxan-4-ylmethyl)amino]-1-(3-nitrophenyl)ethanone
CID 63711390
N-[(3-nitrophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207923

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone (CID 18352913) is morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone is CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is HPWQEQUNYOBOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-3-9-26(19(2)16-21-5-4-6-22(17-21)27(29)30)18-20-7-10-24(11-8-20)23(28)25-12-14-31-15-13-25/h4-6,17,19-20H,3,7-16,18H2,1-2H3.
What are the key properties of morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone?
morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 432.57 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 18352913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).