N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen

C17H36N2O2 — CID 177061909

IUPACN-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen
SMILESCCC(C)OCCNC(=O)CN1CCC(CC(C)C)CC1.[H][H]
InChIInChI=1S/C17H34N2O2.H2/c1-5-15(4)21-11-8-18-17(20)13-19-9-6-16(7-10-19)12-14(2)3;/h14-16H,5-13H2,1-4H3,(H,18,20);1H
InChIKeyHRTFXLHVXPSSRO-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.92
Rot. Bonds9

About N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen

N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen (PubChem CID 177061909) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen
PubChem CID177061909
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen
SMILESCCC(C)OCCNC(=O)CN1CCC(CC(C)C)CC1.[H][H]
InChIInChI=1S/C17H34N2O2.H2/c1-5-15(4)21-11-8-18-17(20)13-19-9-6-16(7-10-19)12-14(2)3;/h14-16H,5-13H2,1-4H3,(H,18,20);1H
InChIKeyHRTFXLHVXPSSRO-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848436
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[2-(4-oxohexan-2-yloxy)ethylamino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 174262731
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176576139
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen?
The IUPAC name of N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen (CID 177061909) is N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen is CCC(C)OCCNC(=O)CN1CCC(CC(C)C)CC1.[H][H].
What is the InChIKey of N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen?
The InChIKey is HRTFXLHVXPSSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2.H2/c1-5-15(4)21-11-8-18-17(20)13-19-9-6-16(7-10-19)12-14(2)3;/h14-16H,5-13H2,1-4H3,(H,18,20);1H.
What are the key properties of N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen?
N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen has a molecular weight of 300.49 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 177061909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).