N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide

C22H30ClN3O — CID 25192712

IUPACN-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl
InChIInChI=1S/C22H30ClN3O/c23-20-2-1-15(14-26-5-3-24-4-6-26)10-19(20)21(27)25-22-11-16-7-17(12-22)9-18(8-16)13-22/h1-2,10,16-18,24H,3-9,11-14H2,(H,25,27)
InChIKeyFGAAYMUTTHGJIJ-UHFFFAOYSA-N
MW387.96 g/mol
LogP3.44
Rot. Bonds4

About N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide

N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide (PubChem CID 25192712) has the molecular formula C22H30ClN3O and a molecular weight of 387.96 g/mol. Its IUPAC name is N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
PubChem CID25192712
Molecular FormulaC22H30ClN3O
Molecular Weight387.96 g/mol
Exact Mass387.21
IUPAC NameN-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl
InChIInChI=1S/C22H30ClN3O/c23-20-2-1-15(14-26-5-3-24-4-6-26)10-19(20)21(27)25-22-11-16-7-17(12-22)9-18(8-16)13-22/h1-2,10,16-18,24H,3-9,11-14H2,(H,25,27)
InChIKeyFGAAYMUTTHGJIJ-UHFFFAOYSA-N
XLogP3.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 41455586
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CID 18381510
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
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N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
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N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 19293511
N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(hydroxymethyl)piperazin-1-yl]ethyl]benzamide
CID 18381512
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 26333304
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
N-(1-adamantyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 8531597

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide (CID 25192712) is N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl.
What is the InChIKey of N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide?
The InChIKey is FGAAYMUTTHGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O/c23-20-2-1-15(14-26-5-3-24-4-6-26)10-19(20)21(27)25-22-11-16-7-17(12-22)9-18(8-16)13-22/h1-2,10,16-18,24H,3-9,11-14H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide?
N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide has a molecular weight of 387.96 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 25192712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).