4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide

C19H29BrN4O — CID 164854647

IUPAC4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(CN2CCC2)CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C19H29BrN4O/c1-15(2)12-22-18(25)19(14-23-8-3-9-23)6-10-24(11-7-19)17-5-4-16(20)13-21-17/h4-5,13,15H,3,6-12,14H2,1-2H3,(H,22,25)
InChIKeySETZNPGQTFLGFI-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.91
Rot. Bonds6

About 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide

4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 164854647) has the molecular formula C19H29BrN4O and a molecular weight of 409.37 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID164854647
Molecular FormulaC19H29BrN4O
Molecular Weight409.37 g/mol
Exact Mass408.15
IUPAC Name4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(CN2CCC2)CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C19H29BrN4O/c1-15(2)12-22-18(25)19(14-23-8-3-9-23)6-10-24(11-7-19)17-5-4-16(20)13-21-17/h4-5,13,15H,3,6-12,14H2,1-2H3,(H,22,25)
InChIKeySETZNPGQTFLGFI-UHFFFAOYSA-N
XLogP2.91
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide (CID 164854647) is 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1(CN2CCC2)CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is SETZNPGQTFLGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN4O/c1-15(2)12-22-18(25)19(14-23-8-3-9-23)6-10-24(11-7-19)17-5-4-16(20)13-21-17/h4-5,13,15H,3,6-12,14H2,1-2H3,(H,22,25).
What are the key properties of 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-1-(5-bromo-2-pyridinyl)-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 164854647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).