N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C27H33N3O2 — CID 24792119

IUPACN-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESC#CCN(C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C27H33N3O2/c1-2-18-30(24-9-4-3-5-10-24)27(31)22-11-13-25(14-12-22)32-26-15-19-29(20-16-26)21-23-8-6-7-17-28-23/h1,6-8,11-14,17,24,26H,3-5,9-10,15-16,18-21H2
InChIKeyGIYKTTAZZSYATM-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.53
Rot. Bonds7

About N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24792119) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24792119
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESC#CCN(C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C27H33N3O2/c1-2-18-30(24-9-4-3-5-10-24)27(31)22-11-13-25(14-12-22)32-26-15-19-29(20-16-26)21-23-8-6-7-17-28-23/h1,6-8,11-14,17,24,26H,3-5,9-10,15-16,18-21H2
InChIKeyGIYKTTAZZSYATM-UHFFFAOYSA-N
XLogP4.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24792119) is N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is C#CCN(C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is GIYKTTAZZSYATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-2-18-30(24-9-4-3-5-10-24)27(31)22-11-13-25(14-12-22)32-26-15-19-29(20-16-26)21-23-8-6-7-17-28-23/h1,6-8,11-14,17,24,26H,3-5,9-10,15-16,18-21H2.
What are the key properties of N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 431.58 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24792119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).