ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide

C22H49N5O — CID 176578435

IUPACethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
SMILESCC.CC.CC(C)NCCNC(=O)CN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N5O.2C2H6/c1-16(2)19-6-7-20-18(24)15-23-12-10-22(11-13-23)14-17-4-8-21(3)9-5-17;2*1-2/h16-17,19H,4-15H2,1-3H3,(H,20,24);2*1-2H3
InChIKeyYIKJKGPTZLMRNP-UHFFFAOYSA-N
MW399.67 g/mol
LogP2.11
Rot. Bonds8

About ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide

ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 176578435) has the molecular formula C22H49N5O and a molecular weight of 399.67 g/mol. Its IUPAC name is ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Nameethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
PubChem CID176578435
Molecular FormulaC22H49N5O
Molecular Weight399.67 g/mol
Exact Mass399.39
IUPAC Nameethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
SMILESCC.CC.CC(C)NCCNC(=O)CN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N5O.2C2H6/c1-16(2)19-6-7-20-18(24)15-23-12-10-22(11-13-23)14-17-4-8-21(3)9-5-17;2*1-2/h16-17,19H,4-15H2,1-3H3,(H,20,24);2*1-2H3
InChIKeyYIKJKGPTZLMRNP-UHFFFAOYSA-N
XLogP2.11
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176576139
molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176577501
N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 177062205
3-methyl-1-[4-[[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one
CID 177119154
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 177119152
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
1-[4-[[4-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
CID 176577635
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane
CID 176577196
N-[2-[ethyl(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 176577653
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide (CID 176578435) is ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide is CC.CC.CC(C)NCCNC(=O)CN1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is YIKJKGPTZLMRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O.2C2H6/c1-16(2)19-6-7-20-18(24)15-23-12-10-22(11-13-23)14-17-4-8-21(3)9-5-17;2*1-2/h16-17,19H,4-15H2,1-3H3,(H,20,24);2*1-2H3.
What are the key properties of ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide?
ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 399.67 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 176578435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).