ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide

C18H44N4O — CID 177321914

IUPACethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide
SMILESCC.CC.CC.O=C(CN1CCNCC1)NCC1CCNCC1.[H][H]
InChIInChI=1S/C12H24N4O.3C2H6.H2/c17-12(10-16-7-5-14-6-8-16)15-9-11-1-3-13-4-2-11;3*1-2;/h11,13-14H,1-10H2,(H,15,17);3*1-2H3;1H
InChIKeyHZXTYFIFUZRZGK-UHFFFAOYSA-N
MW332.58 g/mol
LogP2.33
Rot. Bonds4

About ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide

ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 177321914) has the molecular formula C18H44N4O and a molecular weight of 332.58 g/mol. Its IUPAC name is ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide
PubChem CID177321914
Molecular FormulaC18H44N4O
Molecular Weight332.58 g/mol
Exact Mass332.35
IUPAC Nameethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide
SMILESCC.CC.CC.O=C(CN1CCNCC1)NCC1CCNCC1.[H][H]
InChIInChI=1S/C12H24N4O.3C2H6.H2/c17-12(10-16-7-5-14-6-8-16)15-9-11-1-3-13-4-2-11;3*1-2;/h11,13-14H,1-10H2,(H,15,17);3*1-2H3;1H
InChIKeyHZXTYFIFUZRZGK-UHFFFAOYSA-N
XLogP2.33
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 54927931
2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
CID 55228378
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 177321931
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 114105696
N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide
CID 89171571
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide (CID 177321914) is ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide is CC.CC.CC.O=C(CN1CCNCC1)NCC1CCNCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is HZXTYFIFUZRZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O.3C2H6.H2/c17-12(10-16-7-5-14-6-8-16)15-9-11-1-3-13-4-2-11;3*1-2;/h11,13-14H,1-10H2,(H,15,17);3*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide?
ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 332.58 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 177321914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).