N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide

C24H33ClN2O — CID 18381535

IUPACN-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CC2CCCNC2)ccc1Cl
InChIInChI=1S/C24H33ClN2O/c25-22-4-3-16(6-17-2-1-5-26-14-17)10-21(22)23(28)27-15-24-11-18-7-19(12-24)9-20(8-18)13-24/h3-4,10,17-20,26H,1-2,5-9,11-15H2,(H,27,28)
InChIKeyOXQVQNQTPUBRKB-UHFFFAOYSA-N
MW400.99 g/mol
LogP4.83
Rot. Bonds5

About N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide

N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide (PubChem CID 18381535) has the molecular formula C24H33ClN2O and a molecular weight of 400.99 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide
PubChem CID18381535
Molecular FormulaC24H33ClN2O
Molecular Weight400.99 g/mol
Exact Mass400.23
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CC2CCCNC2)ccc1Cl
InChIInChI=1S/C24H33ClN2O/c25-22-4-3-16(6-17-2-1-5-26-14-17)10-21(22)23(28)27-15-24-11-18-7-19(12-24)9-20(8-18)13-24/h3-4,10,17-20,26H,1-2,5-9,11-15H2,(H,27,28)
InChIKeyOXQVQNQTPUBRKB-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.99
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide (CID 18381535) is N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CC2CCCNC2)ccc1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide?
The InChIKey is OXQVQNQTPUBRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O/c25-22-4-3-16(6-17-2-1-5-26-14-17)10-21(22)23(28)27-15-24-11-18-7-19(12-24)9-20(8-18)13-24/h3-4,10,17-20,26H,1-2,5-9,11-15H2,(H,27,28).
What are the key properties of N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide?
N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide has a molecular weight of 400.99 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-chloro-5-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 18381535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).