(5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C14H18BrN3O — CID 58407724

IUPAC(5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H18BrN3O/c15-12-3-4-13(16-9-12)14(19)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2
InChIKeyAABDNSRMNSAWTQ-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.01
Rot. Bonds3

About (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 58407724) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID58407724
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name(5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H18BrN3O/c15-12-3-4-13(16-9-12)14(19)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2
InChIKeyAABDNSRMNSAWTQ-UHFFFAOYSA-N
XLogP2.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 58407724) is (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(Br)cn1)N1CCN(CC2CC2)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is AABDNSRMNSAWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-12-3-4-13(16-9-12)14(19)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 324.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 58407724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).