2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide

C17H25N5O — CID 72913616

IUPAC2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(CCCn2cccc2)CC1
InChIInChI=1S/C17H25N5O/c18-16(23)14-22-13-6-19-17(22)15-4-11-21(12-5-15)10-3-9-20-7-1-2-8-20/h1-2,6-8,13,15H,3-5,9-12,14H2,(H2,18,23)
InChIKeyVEQAHHZXITXCJR-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.44
Rot. Bonds7

About 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72913616) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72913616
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(CCCn2cccc2)CC1
InChIInChI=1S/C17H25N5O/c18-16(23)14-22-13-6-19-17(22)15-4-11-21(12-5-15)10-3-9-20-7-1-2-8-20/h1-2,6-8,13,15H,3-5,9-12,14H2,(H2,18,23)
InChIKeyVEQAHHZXITXCJR-UHFFFAOYSA-N
XLogP1.44
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(2-propoxyethyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72891987
2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide
CID 72938584
2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72919642
2-[2-(1-quinolin-2-ylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 72938350
2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide
CID 72872009
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97285199
2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72868172
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide (CID 72913616) is 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCN(CCCn2cccc2)CC1.
What is the InChIKey of 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is VEQAHHZXITXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c18-16(23)14-22-13-6-19-17(22)15-4-11-21(12-5-15)10-3-9-20-7-1-2-8-20/h1-2,6-8,13,15H,3-5,9-12,14H2,(H2,18,23).
What are the key properties of 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72913616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).