ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate

C30H69N5O4 — CID 154661435

IUPACethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCC.CC.CC.CC(C)OC(=O)NCCN1CCN(C)CC1.COC(C)C.O=CNCCCN1CCCCC1
InChIInChI=1S/C11H23N3O2.C9H18N2O.C4H10O.3C2H6/c1-10(2)16-11(15)12-4-5-14-8-6-13(3)7-9-14;12-9-10-5-4-8-11-6-2-1-3-7-11;1-4(2)5-3;3*1-2/h10H,4-9H2,1-3H3,(H,12,15);9H,1-8H2,(H,10,12);4H,1-3H3;3*1-2H3
InChIKeyLMYZDTGBTAEJQW-UHFFFAOYSA-N
MW563.91 g/mol
LogP5.10
Rot. Bonds10

About ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate

ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate (PubChem CID 154661435) has the molecular formula C30H69N5O4 and a molecular weight of 563.91 g/mol. Its IUPAC name is ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
PubChem CID154661435
Molecular FormulaC30H69N5O4
Molecular Weight563.91 g/mol
Exact Mass563.53
IUPAC Nameethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCC.CC.CC.CC(C)OC(=O)NCCN1CCN(C)CC1.COC(C)C.O=CNCCCN1CCCCC1
InChIInChI=1S/C11H23N3O2.C9H18N2O.C4H10O.3C2H6/c1-10(2)16-11(15)12-4-5-14-8-6-13(3)7-9-14;12-9-10-5-4-8-11-6-2-1-3-7-11;1-4(2)5-3;3*1-2/h10H,4-9H2,1-3H3,(H,12,15);9H,1-8H2,(H,10,12);4H,1-3H3;3*1-2H3
InChIKeyLMYZDTGBTAEJQW-UHFFFAOYSA-N
XLogP5.10
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.91
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]piperazine-1-carboxylate
CID 21882611
Piperidin-4-yl 4-methylpiperazine-1-carboxylate
CID 68986154
[1-(2-acetamidoethyl)piperidin-4-yl] acetate;N-[2-(4-acetylpiperazin-1-yl)ethyl]acetamide
CID 90826626
propan-2-yl N-(2-piperidin-1-ylethyl)carbamate
CID 116654791
Piperidin-4-yl piperazine-1-carboxylate
CID 118695447
(1-Methylpiperidin-4-yl) piperazine-1-carboxylate
CID 127541235
Tert-butyl 4-[[1-methyl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 134435022
Tert-butyl 2-methyl-4-[[1-methyl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 134435031
propan-2-yl N-[1-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]piperidin-4-yl]carbamate
CID 134435612
propan-2-yl N-[1-methyl-4-[(3-methylpiperazin-1-yl)methyl]piperidin-4-yl]carbamate
CID 134435615
propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134435618
propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
CID 134435619

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate (CID 154661435) is ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate is CC.CC.CC.CC(C)OC(=O)NCCN1CCN(C)CC1.COC(C)C.O=CNCCCN1CCCCC1.
What is the InChIKey of ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is LMYZDTGBTAEJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.C9H18N2O.C4H10O.3C2H6/c1-10(2)16-11(15)12-4-5-14-8-6-13(3)7-9-14;12-9-10-5-4-8-11-6-2-1-3-7-11;1-4(2)5-3;3*1-2/h10H,4-9H2,1-3H3,(H,12,15);9H,1-8H2,(H,10,12);4H,1-3H3;3*1-2H3.
What are the key properties of ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 563.91 g/mol, XLogP of 5.10, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxypropane;N-(3-piperidin-1-ylpropyl)formamide;propan-2-yl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 154661435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).