2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

C21H29ClN4O — CID 17270594

IUPAC2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H29ClN4O/c22-18-1-2-19(23-12-18)24-20(27)13-25-3-5-26(6-4-25)21-16-8-14-7-15(10-16)11-17(21)9-14/h1-2,12,14-17,21H,3-11,13H2,(H,23,24,27)
InChIKeyBTZZQTNULCXQOK-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 17270594) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID17270594
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H29ClN4O/c22-18-1-2-19(23-12-18)24-20(27)13-25-3-5-26(6-4-25)21-16-8-14-7-15(10-16)11-17(21)9-14/h1-2,12,14-17,21H,3-11,13H2,(H,23,24,27)
InChIKeyBTZZQTNULCXQOK-UHFFFAOYSA-N
XLogP3.12
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 22193927
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 17276225
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 17266977
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 22193970
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
2-[4-(2-adamantyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 22193926
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
N-(5-chloro-2-pyridinyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467673

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (CID 17270594) is 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is O=C(CN1CCN(C2C3CC4CC(C3)CC2C4)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is BTZZQTNULCXQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O/c22-18-1-2-19(23-12-18)24-20(27)13-25-3-5-26(6-4-25)21-16-8-14-7-15(10-16)11-17(21)9-14/h1-2,12,14-17,21H,3-11,13H2,(H,23,24,27).
What are the key properties of 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 388.94 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 17270594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).