ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide

C17H40N4O — CID 177321931

IUPACethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
SMILESCC.CC.O=C(CC1CCNCC1)NCCN1CCNCC1.[H][H]
InChIInChI=1S/C13H26N4O.2C2H6.H2/c18-13(11-12-1-3-14-4-2-12)16-7-10-17-8-5-15-6-9-17;2*1-2;/h12,14-15H,1-11H2,(H,16,18);2*1-2H3;1H
InChIKeyZJOWQTHUCCUOCB-UHFFFAOYSA-N
MW316.53 g/mol
LogP1.70
Rot. Bonds5

About ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide

ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide (PubChem CID 177321931) has the molecular formula C17H40N4O and a molecular weight of 316.53 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
PubChem CID177321931
Molecular FormulaC17H40N4O
Molecular Weight316.53 g/mol
Exact Mass316.32
IUPAC Nameethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
SMILESCC.CC.O=C(CC1CCNCC1)NCCN1CCNCC1.[H][H]
InChIInChI=1S/C13H26N4O.2C2H6.H2/c18-13(11-12-1-3-14-4-2-12)16-7-10-17-8-5-15-6-9-17;2*1-2;/h12,14-15H,1-11H2,(H,16,18);2*1-2H3;1H
InChIKeyZJOWQTHUCCUOCB-UHFFFAOYSA-N
XLogP1.70
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide
CID 177321914
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
N-[3-(diethylamino)propyl]-2-piperidin-4-ylacetamide
CID 24707221
ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
CID 170730069

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide?
The IUPAC name of ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide (CID 177321931) is ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide is CC.CC.O=C(CC1CCNCC1)NCCN1CCNCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide?
The InChIKey is ZJOWQTHUCCUOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.2C2H6.H2/c18-13(11-12-1-3-14-4-2-12)16-7-10-17-8-5-15-6-9-17;2*1-2;/h12,14-15H,1-11H2,(H,16,18);2*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide?
ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide has a molecular weight of 316.53 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 177321931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).