morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone

C29H61N9O4 — CID 70275359

IUPACmorpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
SMILESC1COCCN1.CC(C)NC(=O)CN1CCNCC1.CC(O)N1CCNCC1.O=C(CN1CCNCC1)N1CCCC1
InChIInChI=1S/C10H19N3O.C9H19N3O.C6H14N2O.C4H9NO/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12;1-8(2)11-9(13)7-12-5-3-10-4-6-12;1-6(9)8-4-2-7-3-5-8;1-3-6-4-2-5-1/h11H,1-9H2;8,10H,3-7H2,1-2H3,(H,11,13);6-7,9H,2-5H2,1H3;5H,1-4H2
InChIKeyLCTKCBUSHKTANP-UHFFFAOYSA-N
MW599.87 g/mol
LogP-2.23
Rot. Bonds6

About morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone

morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone (PubChem CID 70275359) has the molecular formula C29H61N9O4 and a molecular weight of 599.87 g/mol. Its IUPAC name is morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Namemorpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
PubChem CID70275359
Molecular FormulaC29H61N9O4
Molecular Weight599.87 g/mol
Exact Mass599.48
IUPAC Namemorpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
SMILESC1COCCN1.CC(C)NC(=O)CN1CCNCC1.CC(O)N1CCNCC1.O=C(CN1CCNCC1)N1CCCC1
InChIInChI=1S/C10H19N3O.C9H19N3O.C6H14N2O.C4H9NO/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12;1-8(2)11-9(13)7-12-5-3-10-4-6-12;1-6(9)8-4-2-7-3-5-8;1-3-6-4-2-5-1/h11H,1-9H2;8,10H,3-7H2,1-2H3,(H,11,13);6-7,9H,2-5H2,1H3;5H,1-4H2
InChIKeyLCTKCBUSHKTANP-UHFFFAOYSA-N
XLogP-2.23
TPSA136.71 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500599.87
LogP ≤ 5-2.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Launch Full Analysis

Related Compounds

4-[1-[4-(Dimethylamino)piperidin-2-yl]-3-[[2-(dimethylamino)-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]-2-morpholin-4-ylpiperazin-2-yl]piperazin-2-one
CID 91391199
[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine
CID 158076857
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635

Frequently Asked Questions

What is the IUPAC name of morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone (CID 70275359) is morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone is C1COCCN1.CC(C)NC(=O)CN1CCNCC1.CC(O)N1CCNCC1.O=C(CN1CCNCC1)N1CCCC1.
What is the InChIKey of morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is LCTKCBUSHKTANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.C9H19N3O.C6H14N2O.C4H9NO/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12;1-8(2)11-9(13)7-12-5-3-10-4-6-12;1-6(9)8-4-2-7-3-5-8;1-3-6-4-2-5-1/h11H,1-9H2;8,10H,3-7H2,1-2H3,(H,11,13);6-7,9H,2-5H2,1H3;5H,1-4H2.
What are the key properties of morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 599.87 g/mol, XLogP of -2.23, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;1-piperazin-1-ylethanol;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 70275359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).