N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen

C17H36N4O2 — CID 177062205

IUPACN-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen
SMILESCC(C)N1CCC(CN2CCN(CC(=O)NCCO)CC2)CC1.[H][H]
InChIInChI=1S/C17H34N4O2.H2/c1-15(2)21-6-3-16(4-7-21)13-19-8-10-20(11-9-19)14-17(23)18-5-12-22;/h15-16,22H,3-14H2,1-2H3,(H,18,23);1H
InChIKeySZOXPOSAQQEMFR-UHFFFAOYSA-N
MW328.50 g/mol
LogP0.08
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen

N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen (PubChem CID 177062205) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen
PubChem CID177062205
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC NameN-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen
SMILESCC(C)N1CCC(CN2CCN(CC(=O)NCCO)CC2)CC1.[H][H]
InChIInChI=1S/C17H34N4O2.H2/c1-15(2)21-6-3-16(4-7-21)13-19-8-10-20(11-9-19)14-17(23)18-5-12-22;/h15-16,22H,3-14H2,1-2H3,(H,18,23);1H
InChIKeySZOXPOSAQQEMFR-UHFFFAOYSA-N
XLogP0.08
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[di(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 177119152
N-[2-[ethyl(propan-2-yl)amino]ethyl]-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 176577653
molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176576139
ethane;2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 176578435
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
N-(2-hydroxyethyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 43509640
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
2-(4-cyclopentylpiperazin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 62369296
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]acetamide
CID 78903264

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen (CID 177062205) is N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen is CC(C)N1CCC(CN2CCN(CC(=O)NCCO)CC2)CC1.[H][H].
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen?
The InChIKey is SZOXPOSAQQEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.H2/c1-15(2)21-6-3-16(4-7-21)13-19-8-10-20(11-9-19)14-17(23)18-5-12-22;/h15-16,22H,3-14H2,1-2H3,(H,18,23);1H.
What are the key properties of N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen?
N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen has a molecular weight of 328.50 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 177062205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).