N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide

C16H24N4O — CID 70741175

IUPACN-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCCn1cc(CN2CCC(CNC(C)=O)CC2)cc1C#N
InChIInChI=1S/C16H24N4O/c1-3-20-12-15(8-16(20)9-17)11-19-6-4-14(5-7-19)10-18-13(2)21/h8,12,14H,3-7,10-11H2,1-2H3,(H,18,21)
InChIKeyHUDQUOITXGQTIE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.73
Rot. Bonds5

About N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 70741175) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID70741175
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCCn1cc(CN2CCC(CNC(C)=O)CC2)cc1C#N
InChIInChI=1S/C16H24N4O/c1-3-20-12-15(8-16(20)9-17)11-19-6-4-14(5-7-19)10-18-13(2)21/h8,12,14H,3-7,10-11H2,1-2H3,(H,18,21)
InChIKeyHUDQUOITXGQTIE-UHFFFAOYSA-N
XLogP1.73
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 56884033
1-ethyl-4-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 95870944
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103728195
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
N-[[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736984
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031
4-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 95714599
4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 56891678
N-[[1-[[4-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 70774921
1-ethyl-4-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 56899728

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide (CID 70741175) is N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide is CCn1cc(CN2CCC(CNC(C)=O)CC2)cc1C#N.
What is the InChIKey of N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is HUDQUOITXGQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-20-12-15(8-16(20)9-17)11-19-6-4-14(5-7-19)10-18-13(2)21/h8,12,14H,3-7,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70741175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).