2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide

C21H27N5O2 — CID 72914128

IUPAC2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCCN(C(=O)c2ccccc2N2CCCC2)C1
InChIInChI=1S/C21H27N5O2/c22-19(27)15-25-13-9-23-20(25)16-6-5-12-26(14-16)21(28)17-7-1-2-8-18(17)24-10-3-4-11-24/h1-2,7-9,13,16H,3-6,10-12,14-15H2,(H2,22,27)
InChIKeyXWWGVOYKBKIGKG-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.99
Rot. Bonds5

About 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72914128) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72914128
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCCN(C(=O)c2ccccc2N2CCCC2)C1
InChIInChI=1S/C21H27N5O2/c22-19(27)15-25-13-9-23-20(25)16-6-5-12-26(14-16)21(28)17-7-1-2-8-18(17)24-10-3-4-11-24/h1-2,7-9,13,16H,3-6,10-12,14-15H2,(H2,22,27)
InChIKeyXWWGVOYKBKIGKG-UHFFFAOYSA-N
XLogP1.99
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3R)-1-(2-propoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97280164
2-[2-[(3S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282137
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269284
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270117
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276088
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97278039

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 72914128) is 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCCN(C(=O)c2ccccc2N2CCCC2)C1.
What is the InChIKey of 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is XWWGVOYKBKIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c22-19(27)15-25-13-9-23-20(25)16-6-5-12-26(14-16)21(28)17-7-1-2-8-18(17)24-10-3-4-11-24/h1-2,7-9,13,16H,3-6,10-12,14-15H2,(H2,22,27).
What are the key properties of 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72914128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).