2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide

C22H29ClN2O2 — CID 163423915

IUPAC2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide
SMILESO=C(NCC12CC3CC(C1)C(C3)C2)c1cc(C2(O)CCNCC2)ccc1Cl
InChIInChI=1S/C22H29ClN2O2/c23-19-2-1-17(22(27)3-5-24-6-4-22)9-18(19)20(26)25-13-21-10-14-7-15(11-21)16(8-14)12-21/h1-2,9,14-16,24,27H,3-8,10-13H2,(H,25,26)
InChIKeyAKVRESZQKCEBLC-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide

2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide (PubChem CID 163423915) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide
PubChem CID163423915
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide
SMILESO=C(NCC12CC3CC(C1)C(C3)C2)c1cc(C2(O)CCNCC2)ccc1Cl
InChIInChI=1S/C22H29ClN2O2/c23-19-2-1-17(22(27)3-5-24-6-4-22)9-18(19)20(26)25-13-21-10-14-7-15(11-21)16(8-14)12-21/h1-2,9,14-16,24,27H,3-8,10-13H2,(H,25,26)
InChIKeyAKVRESZQKCEBLC-UHFFFAOYSA-N
XLogP3.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide?
The IUPAC name of 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide (CID 163423915) is 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide is O=C(NCC12CC3CC(C1)C(C3)C2)c1cc(C2(O)CCNCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide?
The InChIKey is AKVRESZQKCEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c23-19-2-1-17(22(27)3-5-24-6-4-22)9-18(19)20(26)25-13-21-10-14-7-15(11-21)16(8-14)12-21/h1-2,9,14-16,24,27H,3-8,10-13H2,(H,25,26).
What are the key properties of 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide?
2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide has a molecular weight of 388.94 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide is sourced from PubChem (CID 163423915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).