ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide

C16H33N3O — CID 142390398

IUPACethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC.CNC(=O)CN1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C14H27N3O.C2H6/c1-15-14(18)12-17-9-5-13(6-10-17)11-16-7-3-2-4-8-16;1-2/h13H,2-12H2,1H3,(H,15,18);1-2H3
InChIKeyJNZMRDDGTQSOPS-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.96
Rot. Bonds4

About ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide

ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 142390398) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID142390398
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Nameethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC.CNC(=O)CN1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C14H27N3O.C2H6/c1-15-14(18)12-17-9-5-13(6-10-17)11-16-7-3-2-4-8-16;1-2/h13H,2-12H2,1H3,(H,15,18);1-2H3
InChIKeyJNZMRDDGTQSOPS-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503699
N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 131897706
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 142390323
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 155726280
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
CID 178000200
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide (CID 142390398) is ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide is CC.CNC(=O)CN1CCC(CN2CCCCC2)CC1.
What is the InChIKey of ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is JNZMRDDGTQSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C2H6/c1-15-14(18)12-17-9-5-13(6-10-17)11-16-7-3-2-4-8-16;1-2/h13H,2-12H2,1H3,(H,15,18);1-2H3.
What are the key properties of ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 142390398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).